SCHEMBL23958649

SCHEMBL23958649

Cc1cnc2c(OC3CC3)cc(C(=O)NCC(O)(c3cc(C(C)(C)O)c(F)c(-c4ccc(C(F)(F)F)cc4)n3)C3CC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
SSTR5 P35346 1/20 0.34
ENPP2 Q13822 2/20 0.33
SYK P43405 4/20 0.32
MAPK14 Q16539 2/20 0.32
LCK P06239 1/20 0.32
SRC P12931 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
CYP2C9 P11712 1/20 0.31
MCHR1 Q99705 3/20 0.31
EPHX2 P34913 2/20 0.31
CNR1 P21554 1/20 0.31
CCR2 P41597 2/20 0.31
KCNH2 Q12809 1/20 0.31
AKR1C3 P42330 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
SCHEMBL25687293 1.00 POLB (0.34) POLBSSTR5ENPP2SYKMAPK14
SCHEMBL30007202 1.00 POLB (0.34) POLBSSTR5ENPP2SYKMAPK14
SCHEMBL30006951 0.94 CFTR (0.33) SSTR5ENPP2MAPK14CYP2C9MCHR1
SCHEMBL25232424 0.94 CFTR (0.33) SSTR5ENPP2MAPK14CYP2C9MCHR1
SCHEMBL25687289 0.94 CFTR (0.33) SSTR5ENPP2MAPK14CYP2C9MCHR1
SCHEMBL25687227 0.93 POLB (0.35) POLBSSTR5SYKEPHX2
SCHEMBL23958737 0.93 POLB (0.35) POLBSSTR5SYKEPHX2
SCHEMBL23958645 0.91 GABRA5 (0.36) ENPP2MAPK14CYP2C9EPHX2CNR1
SCHEMBL30007230 0.91 GABRA5 (0.36) ENPP2MAPK14CYP2C9EPHX2CNR1
SCHEMBL25686195 0.91 GABRA5 (0.36) ENPP2MAPK14CYP2C9EPHX2CNR1

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed