SCHEMBL25478136

SCHEMBL25478136

N=C(c1ccc(Oc2ccccc2F)cc1)c1c(N)ncnc1NC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.46
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PRMT5 O14744 1/20 0.38
TNK2 Q07912 1/20 0.38
HTR1A P08908 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
LTA4H P09960 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL24192694 0.92 BTK (0.47) BTKPARP10TNK2LTA4H
SCHEMBL22243270 0.91 BTK (0.47) BTKPARP10TNK2LTA4H
SCHEMBL25466292 0.90 CYP2C19 (0.46) BTKUSP2ALDH1A1CYP1A2CYP2D6
SCHEMBL22737476 0.89 BTK (0.56) BTKPRMT5
SCHEMBL25478813 0.85 BTK (0.49) BTKPARP10TNK2LTA4H
SCHEMBL25468816 0.85 BTK (0.47) BTKUSP2ALDH1A1CYP1A2CYP2D6
SCHEMBL24196590 0.84 BTK (0.45) BTKCYP1A2CYP2D6CYP2C19AURKA
SCHEMBL23409130 0.84 BTK (0.52) BTKRPS6KB1
SCHEMBL25472788 0.81 BTK (0.56) BTK
SCHEMBL22243254 0.80 BTK (0.46) BTKTNK2

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
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed