SCHEMBL4867903

SCHEMBL4867903

Cc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1NC(=O)c1cnc2[nH]ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.53
▸ EGFR P00533 5/20 0.53
▸ ABL1 P00519 2/20 0.49
▸ INSR P06213 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ HCK P08631 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CDK8 P49336 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ PIP4K2A P48426 1/20 0.41
▸ PIP4K2B P78356 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
SCHEMBL4861094 0.81 KDR (0.42) BRAFEGFRABL1INSRLCK
SCHEMBL14026831 0.80 BRAF (0.52) BRAFEGFRABL1CDK8CSF1R
SCHEMBL4861557 0.78 BRAF (0.52) BRAFEGFRABL1NPC1RAB9A
SCHEMBL14026836 0.77 BRAF (0.48) BRAFEGFRABL1CDK8CSF1R
SCHEMBL4787038 0.77 BRAF (0.74) BRAFEGFRABL1LCKSRC
SCHEMBL16621418 0.75 HSF1 (0.67) BRAFEGFRABL1NPC1RAB9A
SCHEMBL14026832 0.75 ABL1 (0.51) BRAFEGFRABL1INSRKDR
SCHEMBL4787030 0.73 BRAF (0.61) BRAFEGFRABL1LCKSRC
SCHEMBL13878796 0.71 LCK (0.58) BRAFABL1INSRLCKLYN
SCHEMBL4788638 0.71 CSF1R (0.69) BRAFEGFRABL1LCKLYN

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
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