SCHEMBL21425632

SCHEMBL21425632

CN/C=C(\C=N)c1cc(Oc2ccc(C)nc2C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 10/20 0.46
▸ KDR P35968 3/20 0.36
▸ CSF1R P07333 4/20 0.36
▸ PDGFRB P09619 3/20 0.36
▸ PDGFRA P16234 3/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ BRAF P15056 1/20 0.33

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
SCHEMBL21851749 0.87 TGFBR1 (0.36) TGFBR1KDRCSF1RPDGFRBPDGFRA
SCHEMBL22186884 0.79 TGFBR1 (0.36) TGFBR1GRM5
SCHEMBL21882310 0.78 CSF1R (0.34) TGFBR1KDRCSF1RPDGFRBPDGFRA
SCHEMBL21425594 0.78 KDR (0.52) TGFBR1KDRCSF1RGRM5BRAF
SCHEMBL21425572 0.77 CSF1R (0.35) TGFBR1KDRCSF1RPDGFRBPDGFRA
SCHEMBL21425528 0.77 TGFBR1 (0.53) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL21425701 0.76 TGFBR1 (0.49) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL21882349 0.76 TGFBR1 (0.38) TGFBR1CSF1RPDGFRBPDGFRA
SCHEMBL21425599 0.75 TGFBR1 (0.48) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL26944765 0.74 CSF1R (0.42) KDRCSF1RPDGFRBPDGFRAFLT3

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-2018214867-A9 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海和誉生物医药科技有限公司 2019-10-03 — — WO disclosed
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