SCHEMBL9005346

SCHEMBL9005346

O=C(O)C(=CNc1ccccn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.55
▸ NPC1 O15118 9/20 0.55
▸ PKM P14618 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CYP1A2 P05177 1/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ CASP1 P29466 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1976586 0.80 NPC1 (0.50) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL1976587 0.80 NPC1 (0.50) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL27197722 0.80 RAB9A (0.59) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL11764046 0.79 ALDH1A1 (0.44) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL11518190 0.78 KDM4E (0.42) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL10505863 0.77 CHRNB2 (0.42) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL11129959 0.77 LMNA (0.37) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL10859330 0.77 MEN1 (0.67) RAB9ANPC1CYP1A2MEN1KMT2A
SCHEMBL4729346 0.76 CYP1A2 (0.48) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL4728039 0.76 CYP2C9 (0.48) RAB9ANPC1PKMSMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4013656-A PROCESS FOR THE PREPARATION OF PYRIDYLAMINO-METHYLENEMALONIC ACID DERIVATIVES DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US claimed
US-5576320-A 1-heteruarylazetidines and -pyrrolidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-11-19 — — US disclosed
US-5565474-A 1-heteroarylazetidines and -pyrrolidines process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-10-15 — — US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 — — US disclosed
US-4456752-A REACTING A HYDRAZINE WITH DIHALOGEN SUBSTITUTED PYRIDO(1,2-A)PYRIMIDINE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-06-26 — — US disclosed
US-4260612-A Antiallergic nitrogen bridge-head compounds CHINOIN GYOGYSZER ES VECYESZETI TERMEKEK GYARA RT. (HU) 1981-04-07 — — US disclosed
US-4013656-A PROCESS FOR THE PREPARATION OF PYRIDYLAMINO-METHYLENEMALONIC ACID DERIVATIVES DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US disclosed
US-4013656-A PROCESS FOR THE PREPARATION OF PYRIDYLAMINO-METHYLENEMALONIC ACID DERIVATIVES DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US disclosed
US-3907798-A Preparation of 4H-pyrido{8 1,2-a{9 pyrimidin-4-ones from cyclic alkylidene 2-pyridylaminomethylenemalonates STERLING DRUG INC 1975-09-23 — — US disclosed
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