SCHEMBL29651265

SCHEMBL29651265

Clc1ncc(Cl)c(N2CCc3ccccc32)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ROCK1 Q13464 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 2/20 0.42
EGFR P00533 2/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL30919743 0.92 ROCK1 (0.49) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL29651175 0.81 NOTUM (0.41) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL28743736 0.81 NOTUM (0.41) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL29651160 0.80 RPS6KA5 (0.46) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL22500934 0.78 ROCK1 (0.47) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL30919864 0.77 GRIN2D (0.50) ALDH1A1HPGDTSHRMAPTSMN1; SMN2
SCHEMBL6757607 0.75 ROCK1 (0.71) NPC1RAB9AALDH1A1HPGDRXFP1
Hydrochloric Acid SCHEMBL12813071 0.73 ROCK1 (0.69) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL5064225 0.73 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HPGDRXFP1
SCHEMBL30919712 0.73 MAPT (0.44) RAB9AALDH1A1HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4618755-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2025-09-24 EP disclosed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
WO-2024107746-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES (US) 2024-05-23 WO disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed