SCHEMBL30989679

SCHEMBL30989679

Brc1cnc2cn(C3CCCCO3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
RET P07949 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
FLT3 P36888 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30
LMNA P02545 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
SCHEMBL29257163 0.96 ALDH1A1 (0.35) CYP2C19ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL29257157 0.80 ALDH1A1 (0.33) CYP2C19CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL457479 0.76 CYP2C19 (0.33) CYP2C19RETALDH1A1POLBKMT2A
SCHEMBL981891 0.76 ABL1 (0.38) CYP2C19CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL29257114 0.74 ALDH1A1 (0.30) ALDH1A1POLBKMT2ALMNA
SCHEMBL31390912 0.74 KDM5B (0.36) CYP2C19CYP4F2CYP4A11RETALDH1A1
SCHEMBL31390959 0.74 KDM5B (0.36) CYP2C19CYP4F2CYP4A11RETALDH1A1
SCHEMBL25389131 0.74 RXRA (0.43) CYP2C19CYP4F2CYP4A11RETALDH1A1
SCHEMBL31014874 0.73 ALDH1A1 (0.35) CYP2C19CYP4F2CYP4A11RETALDH1A1
SCHEMBL584036 0.72 KDM5B (0.40) CYP2C19CYP4F2CYP4A11RETALDH1A1

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
CN-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 CN disclosed