SCHEMBL4414428

SCHEMBL4414428

Cc1cccc(Nc2nc3ncnc-3c(N)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.47
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47
ERBB2 P04626 1/20 0.44
ADORA2A P29274 1/20 0.43
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 1/20 0.40
NFKB1 P19838 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNNI3K Q59H18 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL4427810 0.85 EGFR (0.45) EGFRHTTTSHRGFER
SCHEMBL4410317 0.85 TAAR1 (0.48) EGFRABL1ABL2HTTMAPK1
SCHEMBL4412618 0.84 EGFR (0.49) EGFRHTTMAPK1RAB9ASMN1; SMN2
SCHEMBL4412315 0.84 ABCG2 (0.44) EGFRRAB9ASMN1; SMN2
SCHEMBL4417806 0.82 SYK (0.43) EGFRHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL4412798 0.81 ROCK1 (0.50) EGFRABL1
SCHEMBL4414478 0.81 PLAU (0.39) EGFRTSHR
SCHEMBL4420185 0.81 ROCK1 (0.49) EGFRERBB2MAPK1TNNI3KSLC2A1
SCHEMBL4417948 0.80 GAA (0.43) MAPK1RAB9AGFERSMN1; SMN2
SCHEMBL4414311 0.79 EGFR (0.53) EGFRRAB9A

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