SCHEMBL29914606

SCHEMBL29914606

CN(C)C1CCN(c2ccc(Br)c(F)c2F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ MAP4K4 O95819 1/20 0.36
▸ CHEK2 O96017 4/20 0.35
▸ RORC P51449 2/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ WDR5 P61964 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR6 P50406 2/20 0.34

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
SCHEMBL24681116 1.00 PIM1 (0.39) PIM1PIM3PIM2MAP4K4CHEK2
SCHEMBL24680787 0.84 PDE10A (0.38) BTK
SCHEMBL29914526 0.84 PDE10A (0.38) BTK
SCHEMBL24681279 0.84 PDE10A (0.38) BTK
SCHEMBL29914530 0.84 PDE10A (0.38) BTK
SCHEMBL24681535 0.78 CHEK2 (0.46) PIM1PIM3PIM2MAP4K4CHEK2
SCHEMBL29914554 0.78 CHEK2 (0.46) PIM1PIM3PIM2MAP4K4CHEK2
SCHEMBL22171137 0.77 MAP4K4 (0.40) PIM1PIM3PIM2MAP4K4CHEK2
SCHEMBL24681117 0.75 PIM1 (0.37) PIM1PIM3PIM2MAP4K4CHEK2
SCHEMBL23168558 0.75 FPR1 (0.41) PIM1PIM3PIM2MAP4K4FPR1

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 3 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
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