SCHEMBL5141239

SCHEMBL5141239

Cc1cccc(NC(=O)Nc2ccc(-c3cc(CN4CCOCC4)n4ncnc([AsH2])c34)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
FLT3 P36888 9/20 0.47
KIT P10721 6/20 0.47
ACVRL1 P37023 5/20 0.45
TEK Q02763 1/20 0.45
FGFR1 P11362 3/20 0.45
RET P07949 2/20 0.45
RPS6KA3 P51812 2/20 0.45
MAPK9 P45984 2/20 0.45
PRKCD Q05655 2/20 0.45
MAP4K2 Q12851 2/20 0.45
BCR P11274 1/20 0.45
FRK P42685 1/20 0.45
DDR1 Q08345 1/20 0.45
TNK1 Q13470 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
MAP3K11 Q16584 1/20 0.45
DDR2 Q16832 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL58935 0.91 ACVRL1 (0.57) KDRFLT3KITACVRL1TEK
SCHEMBL60311 0.84 ACVRL1 (0.59) KDRFLT3KITACVRL1TEK
SCHEMBL57297 0.83 KDR (0.50) KDRFLT3KITACVRL1TEK
SCHEMBL59409 0.83 ACVRL1 (0.55) KDRFLT3KITACVRL1TEK
SCHEMBL59114 0.83 FLT3 (0.58) KDRFLT3KITACVRL1FGFR1
SCHEMBL57964 0.83 ACVRL1 (0.60) KDRFLT3KITACVRL1TEK
SCHEMBL879087 0.83 ACVRL1 (0.57) KDRFLT3KITACVRL1TEK
SCHEMBL59539 0.83 ACVRL1 (0.57) KDRFLT3KITACVRL1TEK
SCHEMBL59260 0.83 ACVRL1 (0.57) KDRFLT3KITACVRL1TEK
SCHEMBL90883 0.83 ACVRL1 (0.56) KDRFLT3KITACVRL1TEK

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