SCHEMBL4428827

SCHEMBL4428827

Nc1[nH]c(Nc2ccc3[nH]ccc3c2)nc2ncnc1-2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.50
FLT1 P17948 8/20 0.45
KDR P35968 3/20 0.43
FGFR2 P21802 1/20 0.42
FLT3 P36888 1/20 0.42
PRKCI P41743 1/20 0.40
PDGFRB P09619 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
SYK P43405 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL4414311 0.82 EGFR (0.53) EGFRFLT1KDRMAOBMAOA
SCHEMBL4421897 0.79 MAPK1 (0.39) EGFRMAPT
SCHEMBL4411564 0.77 CDC7 (0.49) EGFRKDRFLT3SYKNPC1
SCHEMBL4411443 0.76 SYK (0.37) EGFRSYK
SCHEMBL4417948 0.76 GAA (0.43) FLT1KDRFLT3NPC1MAPT
SCHEMBL4410317 0.75 TAAR1 (0.48) EGFRKDRFLT3NPC1RAB9A
SCHEMBL4414428 0.75 EGFR (0.47) EGFRRAB9A
SCHEMBL4427810 0.75 EGFR (0.45) EGFRSYKMAPT
SCHEMBL4414537 0.75 PIK3CA (0.43) EGFRKDRPDGFRB
SCHEMBL4412315 0.75 ABCG2 (0.44) EGFRSYKNPC1MAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed