SCHEMBL9403796

SCHEMBL9403796

CCc1ncnc(N[C@@H](CO)c2ccccc2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.55
▸ AURKA O14965 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CRHR1 P34998 1/20 0.47

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
SCHEMBL9528635 0.83 EGFR (0.40) EGFRAURKARPS6KB1CRHR1
SCHEMBL17085318 0.82 GALR3 (0.54) EGFR
SCHEMBL9215503 0.79 EGFR (0.47) EGFRRPS6KB1CRHR1
SCHEMBL11287675 0.79 EGFR (0.49) EGFRAURKARPS6KB1CRHR1
SCHEMBL7992661 0.79 KDM4E (0.41) EGFRRPS6KB1CRHR1
SCHEMBL18484598 0.78 CRHR1 (0.53) EGFRAURKARPS6KB1CRHR1
SCHEMBL28943348 0.77 AURKA (0.40) EGFRAURKARPS6KB1CRHR1
SCHEMBL28943346 0.77 AURKA (0.40) EGFRAURKARPS6KB1CRHR1
Oxalic Acid SCHEMBL9523891 0.76 RPS6KB1 (0.45) EGFRAURKARPS6KB1CRHR1
SCHEMBL8303141 0.75 EGFR (0.38) EGFRRPS6KB1CRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6172321-A — — None — — JP disclosed
JP-H06172321-A SUBSTITUTED AMINOPYRIMIDINE DERIVATIVE, ITS PRODUCTION AND PEST EXTERMINATING AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD 1994-06-21 — — JP disclosed
Send feedback