SCHEMBL4411784

SCHEMBL4411784

COc1ccccc1Nc1nc2ncnc-2c(N)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
EGFR P00533 2/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE9A O76083 2/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4412618 0.78 EGFR (0.49) MAPTNPC1RAB9ALMNAEGFR
SCHEMBL4415797 0.78 KDR (0.46) EGFRDHFRKMT2A
SCHEMBL4414537 0.73 PIK3CA (0.43) EGFRMAPK1GAA
SCHEMBL4416584 0.73 MEN1 (0.41) MAPTEGFRALDH1A1MAPK1HTT
SCHEMBL1306123 0.72 ALK (0.48) MAPTNPC1RAB9ALMNATP53
SCHEMBL4417806 0.71 SYK (0.43) MAPTTP53EGFRHTTSMN1; SMN2
SCHEMBL4414428 0.71 EGFR (0.47) RAB9ANPSR1EGFRMAPK1HTT
SCHEMBL4414478 0.71 PLAU (0.39) MAPTEGFRL3MBTL1PDE9AKMT2A
SCHEMBL11680725 0.70 MAPT (0.56) MAPTNPC1RAB9ALMNATP53
SCHEMBL4412315 0.68 ABCG2 (0.44) MAPTNPC1RAB9AEGFRALDH1A1

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