SCHEMBL5179820

SCHEMBL5179820

COC[C@@H]1CCCN1CCCc1cc(-c2ccc(N(C(=O)Nc3cc(C(F)(F)F)ccc3F)N(C(=O)Nc3cc(C(F)(F)F)ccc3F)c3ccc(-c4cc(CCCBr)n5ncnc(N)c45)cc3F)c(F)c2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
BCR P11274 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKCD Q05655 1/20 0.41
DDR1 Q08345 1/20 0.41
MAP4K2 Q12851 1/20 0.41
TNK1 Q13470 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
MAP3K11 Q16584 1/20 0.41
DDR2 Q16832 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.41
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PIK3CD O00329 3/20 0.36
ACVRL1 P37023 7/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL5179837 0.91 FLT3 (0.50) RETBCRFGFR1FLT3FRK
SCHEMBL59045 0.88 FLT3 (0.52) RETBCRFGFR1FLT3FRK
SCHEMBL10290393 0.88 FLT3 (0.52) RETBCRFGFR1FLT3FRK
SCHEMBL66827 0.86 FLT3 (0.54) RETBCRFGFR1FLT3FRK
SCHEMBL59465 0.86 FLT3 (0.54) RETBCRFGFR1FLT3FRK
SCHEMBL10290898 0.83 RET (0.46) RETBCRFGFR1FLT3FRK
SCHEMBL59387 0.83 RET (0.46) RETBCRFGFR1FLT3FRK
SCHEMBL842025 0.83 FLT3 (0.47) RETBCRFGFR1FLT3FRK
SCHEMBL842026 0.80 FLT3 (0.43) RETBCRFGFR1FLT3FRK
SCHEMBL842027 0.78 FLT3 (0.41) RETBCRFGFR1FLT3FRK

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