SCHEMBL25334367

SCHEMBL25334367

N#Cc1cc(Br)cnc1-n1ccc2cc(C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
CDC7 O00311 2/20 0.36
CDK2 P24941 1/20 0.36
MAPK8 P45983 5/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 5/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA5 O75582 1/20 0.32
RPS6KA4 O75676 1/20 0.32
AR P10275 1/20 0.32
NR3C1 P04150 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL31122101 1.00 KCNH2 (0.36) KCNH2CDC7CDK2MAPK8MAPK9
SCHEMBL25336908 0.79 KCNH2 (0.36) KCNH2CDC7CDK2MAPK8MAPK9
SCHEMBL987880 0.68 P2RX3 (0.36) KCNH2CDC7CDK2AR
SCHEMBL17027091 0.67 KCNH2 (0.49) KCNH2CDC7CDK2ROCK1
SCHEMBL14136858 0.65 PTK2 (0.44) KCNH2CDC7CDK2MAOB
SCHEMBL31591370 0.65 PTK2 (0.44) KCNH2CDC7CDK2MAOB
SCHEMBL17026923 0.65 KCNH2 (0.50) KCNH2CDC7CDK2ROCK1DGAT1
SCHEMBL31239669 0.65 AR (0.39) AR
SCHEMBL31122112 0.65 HDAC11 (0.37) KCNH2
SCHEMBL8547567 0.63 BACE1 (0.46) MAOBKDM4E

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-2023143354-A1 TRICYCLIC COMPOUND AND APPLICATION THEREOF 希格生科(深圳)有限公司 2023-08-03 WO disclosed