SCHEMBL5140909

SCHEMBL5140909

COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(Nc3ccccc3)ncnn2c1C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.55
FLT3 P36888 3/20 0.55
FRK P42685 2/20 0.55
MAPK9 P45984 2/20 0.55
RPS6KA3 P51812 2/20 0.55
PRKCD Q05655 2/20 0.55
MAP4K2 Q12851 2/20 0.55
RET P07949 2/20 0.55
BCR P11274 1/20 0.55
DDR1 Q08345 1/20 0.55
TNK1 Q13470 1/20 0.55
RPS6KA1 Q15418 1/20 0.55
MAP3K11 Q16584 1/20 0.55
DDR2 Q16832 1/20 0.55
RPS6KA6 Q9UK32 1/20 0.55
KDR P35968 12/20 0.37
BRAF P15056 6/20 0.37
RIPK1 Q13546 1/20 0.36
PDGFRB P09619 4/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL276273 0.88 FGFR1 (0.69) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL10273038 0.80 FGFR1 (0.59) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL276616 0.79 FGFR1 (0.69) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL9979884 0.79 FLT3 (0.57) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL276552 0.79 FGFR1 (0.67) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL276467 0.78 FGFR1 (0.66) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL5182413 0.78 RET (0.56) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL15435525 0.76 FGFR1 (0.64) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL9979888 0.75 FGFR1 (0.63) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL276489 0.74 FGFR1 (0.73) FGFR1FLT3FRKMAPK9RPS6KA3

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-1957077-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-2007064883-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