SCHEMBL13759651

SCHEMBL13759651

Cc1ccc(NC(=O)CC(=O)Nc2ccc(-n3ccc4cnc(N)cc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 5/20 0.41
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ PTK2 Q05397 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL3883933 0.89 MET (0.45) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL3879999 0.75 RAB9A (0.51) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL3883729 0.73 AXL (0.51) CYP2C9
SCHEMBL3880151 0.69 MAP3K5 (0.40) MAPTPTK2
SCHEMBL8141144 0.68 POLB (1.00) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5313559 0.67 TP53 (0.45) MAPTALDH1A1LMNACYP2C9
SCHEMBL18346432 0.63 POLB (0.84) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13183604 0.63 HTR2A (0.45) MAPTCYP1A2TDP1
SCHEMBL8373652 0.63 POLB (0.77) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL27537299 0.62 ADRB1 (0.51) SMN1; SMN2RAB9ANPC1MAPTTDP1

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
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 — — US disclosed
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