SCHEMBL4412618

SCHEMBL4412618

COc1cccc(Nc2nc3ncnc-3c(N)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
ROCK1 Q13464 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ERBB3 P21860 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDR P35968 3/20 0.44
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
PDGFRA P16234 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
MAPK8 P45983 1/20 0.44
CDK8 P49336 1/20 0.44
CDK7 P50613 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
SCHEMBL4417806 0.88 SYK (0.43) EGFRMEN1KMT2AMAPTROCK1
SCHEMBL4417430 0.88 BRAF (0.41) EGFRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4414478 0.87 PLAU (0.39) EGFRMEN1KMT2AMAPTROCK1
SCHEMBL4414428 0.84 EGFR (0.47) EGFRRAB9AHTTSMN1; SMN2MAPK1
SCHEMBL4410317 0.81 TAAR1 (0.48) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL4412315 0.81 ABCG2 (0.44) EGFRMEN1KMT2AMAPTNPC1
SCHEMBL4412798 0.79 ROCK1 (0.50) EGFRROCK1
SCHEMBL4411784 0.78 MAPT (0.52) EGFRKMT2AMAPTNPC1RAB9A
SCHEMBL4415797 0.78 KDR (0.46) EGFRMEN1KMT2AKDRPDGFRA
SCHEMBL4420185 0.78 ROCK1 (0.49) EGFRROCK1KDRMAP4K4MAPK8

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