SCHEMBL9523756

SCHEMBL9523756

CCc1ncnc(NC(CC)c2ccc(Oc3ncnc(CC)c3Cl)cc2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.39
EGFR P00533 3/20 0.37
PTGER4 P35408 1/20 0.34
RPS6KB1 P23443 2/20 0.34
AKT1 P31749 1/20 0.32
ACACB O00763 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL9084666 0.87 PTGER4 (0.40) CRHR1EGFRPTGER4RPS6KB1AURKA
Hydrochloric Acid SCHEMBL9523871 0.86 PTGER4 (0.39) CRHR1EGFRPTGER4RPS6KB1AURKA
SCHEMBL9523823 0.86 CRHR1 (0.42) CRHR1EGFRRPS6KB1AKT1AURKA
SCHEMBL9212072 0.85 EGFR (0.36) CRHR1EGFRPTGER4RPS6KB1AKT1
SCHEMBL9193841 0.84 CRHR1 (0.39) CRHR1EGFRRPS6KB1AKT1
SCHEMBL9523322 0.83 TTBK1 (0.41) CRHR1EGFR
SCHEMBL9216328 0.83 AURKA (0.42) CRHR1EGFRRPS6KB1AKT1AURKA
SCHEMBL9524682 0.82 EGFR (0.36) CRHR1EGFRRPS6KB1ACACB
SCHEMBL9869337 0.82 TDP1 (0.38) CRHR1EGFRACACB
SCHEMBL9215501 0.82 EGFR (0.36) CRHR1EGFRRPS6KB1AKT1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US claimed
EP-0264217-B1 ARALKYLAMINOPYRIMIDINE DERIVATIVE, PROCESS FOR PRODUCING THEREOF AND INSECTICIDE, ACARICIDE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT UBE INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed