SCHEMBL25469866

SCHEMBL25469866

CNc1cc2cc[nH]c2nc1OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
BRD4 O60885 2/20 0.33
CDK8 P49336 2/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
AXL P30530 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL24005739 0.86 MAPT (0.33) BRD4CDK8FGFR1KDRAXL
SCHEMBL24005699 0.82 BRD4 (0.41) ALOX5APFEN1BRD4CDK8FGFR1
SCHEMBL25613036 0.77 FEN1 (0.36) TTKALOX5APFEN1BRD4CDK8
SCHEMBL24005904 0.76 CDK8 (0.39) FEN1BRD4CDK8FGFR1KDR
SCHEMBL24005901 0.73 PIK3CA (0.36) BRD4CDK8FGFR1KDRAXL
SCHEMBL24005768 0.70 CHRNB2 (0.39)
SCHEMBL28802433 0.68 MEN1 (0.35)
SCHEMBL13021082 0.68 BRD4 (0.40) ALOX5APFEN1BRD4CDK8TTBK1
SCHEMBL22560747 0.68 KDR (0.49) BRD4CDK8TTBK1TTBK2FGFR1
SCHEMBL25650900 0.68 LPAR1 (0.33) BRD4CDK8FGFR1KDRAXL

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
WO-2023078398-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-11 WO disclosed