SCHEMBL5319746

SCHEMBL5319746

Nc1ncnc(OCc2ccccc2)c1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
FFAR2 O15552 1/20 0.47
MGMT P16455 2/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MAP3K7 O43318 3/20 0.45
TAB1 Q15750 3/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL2451247 0.86 MAOB (0.48) EGFRLMNAMAPTRAB9ASMN1; SMN2
SCHEMBL2453751 0.85 EGFR (0.46) EGFRERBB2MAOAMAOB
SCHEMBL2452662 0.85 MGMT (0.49) EGFRMGMTHTTCA12CA1
SCHEMBL2453807 0.84 CDC7 (0.52) EGFRHPGDCDC7DBF4ERBB2
SCHEMBL2451246 0.84 RAB9A (0.52) EGFRMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL2450854 0.84 MAP3K7 (0.51) EGFRMGMTMAP3K7TAB1ERBB2
SCHEMBL2451281 0.84 MAOB (0.50) EGFRALDH1A1SMN1; SMN2ERBB2MAOA
SCHEMBL2451011 0.82 EGFR (0.39) EGFRFFAR2MGMTCDK1CCNB1
SCHEMBL2454013 0.82 MAOB (0.48) EGFRHTTMAPTRAB9ASMN1; SMN2
SCHEMBL6362726 0.81 MGMT (0.63) MGMTCDK1CCNB1CCNA2CDK2

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
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO claimed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO disclosed