SCHEMBL3455218

SCHEMBL3455218

COc1ccccc1Nc1nccc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.71
AURKA O14965 2/20 0.60
MAPK8 P45983 3/20 0.57
CAMKK2 Q96RR4 3/20 0.57
PIK3CG P48736 2/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KIT P10721 1/20 0.54
FLT3 P36888 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
KDR P35968 1/20 0.54
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
MAPK10 P53779 1/20 0.52
RAB9A P51151 2/20 0.52

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
SCHEMBL4482391 0.87 EGFR (0.55) EGFRAURKAMAPK8CAMKK2PIK3CG
SCHEMBL14569550 0.83 EGFR (0.73) EGFRAURKAMAPK8CAMKK2PIK3CG
SCHEMBL20004385 0.82 EGFR (0.71) EGFRAURKAMAPK8CAMKK2PIK3CG
SCHEMBL14676415 0.81 PLAU (0.48) EGFRAURKAMAPK8CAMKK2CCNB2
SCHEMBL4491188 0.80 HTT (0.62) SMN1; SMN2KDRCCNB2CDK1CCNB1
SCHEMBL29430401 0.80 HTT (0.62) SMN1; SMN2KDRCCNB2CDK1CCNB1
SCHEMBL4920783 0.78 EGFR (0.66) EGFRAURKAMAPK8CAMKK2PIK3CG
SCHEMBL11813903 0.78 MAPT (0.83) EGFRAURKAMAPTALDH1A1KDM4E
SCHEMBL12801671 0.78 CDK5 (0.66) EGFRAURKAMAPK8CAMKK2PIK3CG
SCHEMBL20355106 0.78 HTT (0.60) EGFRMAPTALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612149-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
EP-2154967-A1 PYRIMIDINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2010-02-24 EP disclosed
WO-2008128231-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-10-23 WO disclosed