SCHEMBL18610342

SCHEMBL18610342

C=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C(C)C)c4cc(C(N)=O)ccc43)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63

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
SCHEMBL19337150 0.93 EGFR (0.69) EGFR
SCHEMBL18610609 0.92 EGFR (0.63) EGFR
SCHEMBL18610542 0.92 EGFR (0.63) EGFR
SCHEMBL18610543 0.92 EGFR (0.62) EGFR
SCHEMBL18586074 0.92 EGFR (0.64) EGFR
SCHEMBL18610669 0.91 EGFR (0.66) EGFR
SCHEMBL18610336 0.91 EGFR (0.61) EGFR
SCHEMBL18610676 0.90 EGFR (0.62) EGFR
SCHEMBL18610544 0.90 EGFR (0.65) EGFR
SCHEMBL18610335 0.89 EGFR (0.61) EGFR

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
WO-2017036263-A1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 广州科擎新药开发有限公司 2017-03-09 WO disclosed