SCHEMBL10463534

SCHEMBL10463534

CCc1ncnc(NC(c2ccc(Oc3ccccc3)cc2)C(C)C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
LTA4H P09960 2/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
KAT2B Q92831 1/20 0.35
IDH1 O75874 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RIPK2 O43353 1/20 0.34
EGFR P00533 1/20 0.34
EPHB2 P29323 1/20 0.34

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
SCHEMBL9869764 0.82 CRHR1 (0.36) CRHR1EGFR
SCHEMBL9524967 0.81 CRHR1 (0.36) CRHR1EGFR
SCHEMBL9523084 0.80 EGFR (0.43) CRHR1BCL2BCL2L1MCL1EGFR
SCHEMBL17085318 0.77 GALR3 (0.54) EGFR
SCHEMBL15684929 0.76 CNR1 (0.48) IDH1TTBK1EGFR
SCHEMBL9523322 0.76 TTBK1 (0.41) CRHR1MCL1TTBK1TTBK2ALDH1A1
SCHEMBL9471998 0.76 PIK3CD (0.51) LTA4HALDH1A1
SCHEMBL9084666 0.76 PTGER4 (0.40) CRHR1IDH1BCL2BCL2L1MCL1
Oxalic Acid SCHEMBL9523891 0.76 RPS6KB1 (0.45) CRHR1BCL2BCL2L1MCL1EGFR
SCHEMBL9728933 0.75 IDH1 (0.37) CRHR1KDRIDH1EGFR

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-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed