SCHEMBL4414537

SCHEMBL4414537

Nc1[nH]c(Nc2cccc3[nH]ccc23)nc2ncnc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.43
MTOR P42345 5/20 0.43
PIK3CD O00329 4/20 0.43
PIK3CB P42338 4/20 0.43
PIK3CG P48736 4/20 0.43
MAPK1 P28482 1/20 0.42
RET P07949 1/20 0.42
CCR4 P51679 1/20 0.40
EGFR P00533 4/20 0.38
KDR P35968 3/20 0.38
PDGFRB P09619 1/20 0.38
HTR6 P50406 1/20 0.38
EPHB4 P54760 3/20 0.36
ABL1 P00519 2/20 0.36
HCK P08631 2/20 0.36
SRC P12931 2/20 0.36
PRKDC P78527 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
GAA P10253 1/20 0.36
JAK2 O60674 2/20 0.35

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
SCHEMBL4428827 0.75 EGFR (0.50) EGFRKDRPDGFRB
SCHEMBL4411784 0.73 MAPT (0.52) MAPK1EGFRGAA
SCHEMBL1307731 0.73 IRAK4 (0.44)
SCHEMBL31156717 0.72 RET (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL5101385 0.70 RET (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4410317 0.69 TAAR1 (0.48) MAPK1EGFRKDRABL1JAK3
SCHEMBL4414428 0.69 EGFR (0.47) MAPK1EGFRABL1
SCHEMBL4427810 0.69 EGFR (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4412315 0.69 ABCG2 (0.44) EGFR
SCHEMBL31156715 0.67 RET (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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