SCHEMBL7716587

SCHEMBL7716587

Cc1ccc(Nc2ncc(Oc3ccc(Cl)cc3)c(N3CCN(CCO)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
HTR2A P28223 2/20 0.43
KCNA5 P22460 1/20 0.43
WEE1 P30291 1/20 0.42
EGFR P00533 1/20 0.41
TNK2 Q07912 1/20 0.41
AXL P30530 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
SYK P43405 2/20 0.40
CHRNA7 P36544 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
ALK Q9UM73 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL7714041 0.91 HTR2A (0.45) SRCHTR2AWEE1EGFRTNK2
SCHEMBL7714114 0.91 HTR2A (0.48) SRCHTR2AKCNA5WEE1EGFR
SCHEMBL7714319 0.84 LMNA (0.41) SRCHTR2AALKLMNA
SCHEMBL7716602 0.84 LMNA (0.42) SRCHTR2ALMNA
SCHEMBL7714501 0.81 LMNA (0.46) SRCHTR2ALMNA
SCHEMBL7714168 0.80 LMNA (0.39) SRCHTR2AKCNH2LMNA
SCHEMBL7714708 0.80 LMNA (0.46) SRCHTR2ASCN9ALMNA
SCHEMBL7716616 0.80 MEN1 (0.49) AXLALKLCK
SCHEMBL7714490 0.79 ALK (0.53) EGFRCCND3ALK
SCHEMBL7708442 0.79 LMNA (0.45) SRCHTR2ALMNA

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-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US claimed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP claimed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO claimed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed