SCHEMBL29757476

SCHEMBL29757476

COC(=O)c1c(-c2ccc(N)c(C(F)F)n2)nnn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 1/20 0.35
CFTR P13569 1/20 0.34
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 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
SCHEMBL23363247 1.00 ADCY10 (0.35) ADCY10CFTRDAPK3JAK2PRKD3
SCHEMBL29757447 0.87 MAP2K3 (0.31) ADCY10
SCHEMBL29757478 0.86 ALDH1A1 (0.32) ADCY10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23363685 0.86 ALDH1A1 (0.32) ADCY10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29757475 0.78 CYP1A2 (0.32) ADCY10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23362847 0.78 CYP1A2 (0.32) ADCY10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23384341 0.74 ADCY10 (0.35) ADCY10DAPK3JAK2PRKD3MAP4K4
SCHEMBL30309354 0.74 ADCY10 (0.35) ADCY10DAPK3JAK2PRKD3MAP4K4
Hydrochloric Acid SCHEMBL23362550 0.73 ADCY10 (0.35) ADCY10DAPK3JAK2PRKD3MAP4K4
SCHEMBL23362584 0.73 NPC1 (0.36) ADCY10ALDH1A1MAPK1KDM4EHPGD

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
CN-114728168-A Triazolecarbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2022-07-08 CN disclosed