SCHEMBL13076797

SCHEMBL13076797

CCCn1c(N)nc2ccc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ TLR8 Q9NR97 5/20 0.46
▸ ACSS2 Q9NR19 6/20 0.43
▸ NOD1 Q9Y239 1/20 0.40
▸ F2R P25116 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL3801440 0.91 POLB (0.49) POLBTLR8
SCHEMBL19437489 0.82 POLB (0.60) POLBTLR8ACSS2NOD1LMNA
SCHEMBL24845833 0.77 BRD4 (0.58) BRD4
SCHEMBL30163788 0.77 BRD4 (0.58) BRD4
SCHEMBL11736204 0.75 PI4KB (0.42) ACSS2NOD1SMN1; SMN2BRD4
SCHEMBL21310907 0.75 TLR7 (0.55) TLR8ACSS2F2RCDK1CDK4
SCHEMBL11622008 0.74 PI4KB (0.59) —
SCHEMBL13077024 0.74 ACSS2 (0.48) POLBTLR8ACSS2BRD4
SCHEMBL29154862 0.73 BRD4 (0.51) BRD4
SCHEMBL24492391 0.73 TLR7 (0.51) TLR8ACSS2

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
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
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