SCHEMBL27953969

SCHEMBL27953969

CC(=O)Oc1cccc2c(N)nc(-c3cccnc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ADORA2A P29274 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ F2 P00734 2/20 0.42
▸ F12 P00748 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL14358581 0.79 KDM4E (0.48) POLBF2F12LMNACYP1A2
SCHEMBL14358728 0.76 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1TP53ADORA2A
SCHEMBL27953970 0.75 ADORA2A (0.44) SMN1; SMN2ADORA2APOLBF2F12
SCHEMBL2216120 0.71 TSHR (0.49) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL16183607 0.70 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1TP53ADORA2A
SCHEMBL16184099 0.69 NPC1 (0.54) RAB9ASMN1; SMN2NPC1TP53ADORA2A
SCHEMBL14475056 0.69 DHFR (0.56) RAB9ANPC1ADORA2ACYP1A2MAPT
SCHEMBL30843879 0.69 CYP1A2 (0.62) SMN1; SMN2TP53POLBLMNACYP1A2
SCHEMBL13272569 0.69 CYP1A2 (0.62) SMN1; SMN2TP53POLBLMNACYP1A2
SCHEMBL30804557 0.69 CYP1A2 (0.62) SMN1; SMN2TP53POLBLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103703001-A Quinazolines as therapeutic compounds and related methods of use OTSUKA PHARMA CO LTD 2014-04-02 — — CN disclosed
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