SCHEMBL29914426

SCHEMBL29914426

CC(C)[C@@H]1CN(c2ccc(Cl)c(F)c2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 3/20 0.43
▸ DRD4 P21917 1/20 0.35
▸ NR1H2 P55055 4/20 0.35
▸ NR1H3 Q13133 4/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ NOTUM Q6P988 3/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL29914582 1.00 RAD51 (0.43) RAD51DRD4NR1H2NR1H3CHRM2
SCHEMBL24681541 1.00 RAD51 (0.43) RAD51DRD4NR1H2NR1H3CHRM2
SCHEMBL24680971 1.00 RAD51 (0.43) RAD51DRD4NR1H2NR1H3CHRM2
SCHEMBL24680805 1.00 RAD51 (0.43) RAD51DRD4NR1H2NR1H3CHRM2
SCHEMBL29157654 0.88 NOTUM (0.45) RAD51DRD4NOTUM
SCHEMBL29157655 0.88 NOTUM (0.45) RAD51DRD4NOTUM
SCHEMBL24681247 0.80 NOTUM (0.41) RAD51NOTUMACACBFFAR2
SCHEMBL24681245 0.80 NOTUM (0.41) RAD51NOTUMACACBFFAR2
SCHEMBL24681614 0.80 NOTUM (0.41) RAD51NOTUMACACBFFAR2
SCHEMBL24680806 0.80 NR1H2 (0.31) NR1H2NR1H3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
WO-2022226666-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
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