SCHEMBL14239643

SCHEMBL14239643

CC(C)(C)OC(=O)N1CCC(c2ccnc(Nc3ncc(-c4cccc(F)c4)s3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
TP53 P04637 3/20 0.45
SYK P43405 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
WNT3A P56704 1/20 0.43
CHEK1 O14757 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
HPGDS O60760 2/20 0.42
LMNA P02545 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL14240527 0.93 DDB1 (0.45) KDRTP53SYKDDB1CRBN
SCHEMBL14240653 0.90 WNT3A (0.45) KDRSYKDDB1CRBNWNT3A
SCHEMBL14240418 0.89 ALK (0.46) KDRTP53SYKDDB1CRBN
SCHEMBL15641277 0.84 DDB1 (0.46) SYKDDB1CRBNWNT3AGPR119
SCHEMBL14240396 0.83 DDB1 (0.45) SYKDDB1CRBNWNT3AGPR119
SCHEMBL15641367 0.81 KDR (0.51) KDRTP53SYKWNT3ACHEK1
SCHEMBL14239640 0.80 SRC (0.49) KDRCHEK1
SCHEMBL14239679 0.80 NAMPT (0.43) SYKDDB1CRBNWNT3AGPR119
SCHEMBL15641297 0.80 NAMPT (0.43) SYKDDB1CRBNWNT3AGPR119
SCHEMBL14240508 0.79 MMP13 (0.46) KDRGPR119HPGDSMKNK1

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-2012169934-A1 NOVEL KINASE INHIBITORS ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "АСИНЭКС МЕДХИМ" (RU) 2012-12-13 WO disclosed