SCHEMBL11103785

SCHEMBL11103785

CCOc1ccccc1C(C)Nc1ncnc(Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.43
▸ KRAS P01116 3/20 0.39
▸ SOS1 Q07889 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ P2RX3 P56373 2/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ GALR3 O60755 1/20 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
SCHEMBL11105547 0.91 EGFR (0.37) EGFRKRASSOS1ALOX15GAA
SCHEMBL11105125 0.90 EGFR (0.48) EGFRKRASSOS1P2RX3PIK3CD
SCHEMBL11102980 0.85 EGFR (0.43) EGFRKRASSOS1ALOX15GAA
SCHEMBL11100297 0.82 EGFR (0.47) EGFRKRASSOS1SMN1; SMN2HSD17B10
SCHEMBL11109382 0.82 P2RX3 (0.47) EGFRKRASSOS1P2RX3PIK3CD
SCHEMBL11103467 0.79 EGFR (0.46) EGFRKRASSOS1P2RX3PIK3CD
SCHEMBL11106600 0.78 PIK3CD (0.39) EGFRKRASSOS1ALOX15GAA
SCHEMBL11101615 0.76 GALR3 (0.57) EGFRKRASSOS1SMN1; SMN2HSD17B10
SCHEMBL11110469 0.75 EGFR (0.47) EGFRKRASSOS1P2RX3PIK3CD
SCHEMBL11101473 0.75 LMNA (0.43) EGFRGAAMAPK1HTTSMN1; SMN2

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-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
Send feedback