SCHEMBL19662795

SCHEMBL19662795

Cn1ncc2ccc(NC(=O)c3cccc(I)c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.54
▸ MAOA P21397 3/20 0.54
▸ ACHE P22303 1/20 0.54
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ GRM5 P41594 1/20 0.49
▸ PTGER3 P43115 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR1F P30939 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MLLT1 Q03111 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL19662769 0.87 KMT2A (0.61) MAOBMAOAACHENPC1RAB9A
SCHEMBL21237216 0.84 HDAC8 (0.55) MAOBMAOAACHENPC1RAB9A
SCHEMBL19662760 0.77 NPC1 (0.64) MAOBMAOAACHENPC1RAB9A
SCHEMBL30006626 0.76 MAPT (0.53) MAOBMAOAACHENPC1RAB9A
SCHEMBL4898390 0.76 TRPV1 (0.52) MAOBMAOAACHENPC1RAB9A
SCHEMBL29510910 0.76 NPC1 (0.78) MAOBMAOAACHENPC1RAB9A
SCHEMBL19662799 0.76 KDM1A (0.63) MAOANPC1RAB9AALDH1A1GRM5
SCHEMBL30323212 0.76 GRM4 (0.54) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL20524569 0.76 GRM4 (0.54) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL24367775 0.74 MAOB (0.64) MAOBMAOAACHENPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 — — EP disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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