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SCHEMBL3675173

SCHEMBL3675173

O=C(Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(F)c(C(=O)N(c2cc(C(=O)N3CCC[C@H]3CN3CCCC3)ccc2F)c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(Cc4cc(F)cc(F)c4)cc23)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.33
▸ ATR Q13535 1/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.32
▸ ALK Q9UM73 6/20 0.32
▸ INSR P06213 2/20 0.31
▸ IGF1R P08069 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ CTNNB1 P35222 1/20 0.30
▸ TCF7L2 Q9NQB0 1/20 0.30

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
SCHEMBL3512603 0.90 ATR (0.37) METATRHRH3ALKINSR
SCHEMBL3512606 0.90 ATR (0.37) METATRHRH3ALKINSR
SCHEMBL3675170 0.88 ATR (0.36) METATRHRH3ALKINSR
SCHEMBL3675174 0.88 ATR (0.36) METATRHRH3ALKINSR
SCHEMBL3513453 0.76 ALK (0.40) ALKINSRIGF1RAURKANTRK1
SCHEMBL3513451 0.74 ALK (0.39) ALKINSRIGF1RAURKANTRK1
SCHEMBL3512844 0.72 ALK (0.56) METALKINSRIGF1RAURKA
SCHEMBL3512848 0.72 ALK (0.56) METALKINSRIGF1RAURKA
SCHEMBL3514487 0.72 ALK (0.56) METALKINSRIGF1RAURKA
SCHEMBL3513992 0.69 ALK (0.38) METALKINSRIGF1RAURKA

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
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 — — EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 — — WO disclosed