SCHEMBL5179837

SCHEMBL5179837

COC[C@@H]1CCCN1CCCc1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn12.Nc1ncnn2c(CCCBr)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.50
▸ RET P07949 3/20 0.50
▸ FGFR1 P11362 3/20 0.50
▸ FRK P42685 2/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ RPS6KA3 P51812 2/20 0.50
▸ MAP4K2 Q12851 2/20 0.50
▸ BCR P11274 1/20 0.50
▸ PRKCD Q05655 1/20 0.50
▸ DDR1 Q08345 1/20 0.50
▸ TNK1 Q13470 1/20 0.50
▸ RPS6KA1 Q15418 1/20 0.50
▸ MAP3K11 Q16584 1/20 0.50
▸ DDR2 Q16832 1/20 0.50
▸ RPS6KA6 Q9UK32 1/20 0.50
▸ AURKA O14965 3/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ KDR P35968 7/20 0.37
▸ PDGFRB P09619 4/20 0.37
▸ ACVRL1 P37023 4/20 0.37

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
SCHEMBL10290393 0.97 FLT3 (0.52) FLT3RETFGFR1FRKMAPK9
SCHEMBL59045 0.97 FLT3 (0.52) FLT3RETFGFR1FRKMAPK9
SCHEMBL59465 0.95 FLT3 (0.54) FLT3RETFGFR1FRKMAPK9
SCHEMBL66827 0.95 FLT3 (0.54) FLT3RETFGFR1FRKMAPK9
SCHEMBL842025 0.92 FLT3 (0.47) FLT3RETFGFR1FRKMAPK9
SCHEMBL5179820 0.91 RET (0.41) FLT3RETFGFR1FRKMAPK9
SCHEMBL10290898 0.90 RET (0.46) FLT3RETFGFR1FRKMAPK9
SCHEMBL59387 0.90 RET (0.46) FLT3RETFGFR1FRKMAPK9
SCHEMBL842026 0.89 FLT3 (0.43) FLT3RETFGFR1FRKMAPK9
SCHEMBL842027 0.86 FLT3 (0.41) FLT3RETFGFR1FRKMAPK9

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-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 — — EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 — — WO disclosed
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