SCHEMBL30501979

SCHEMBL30501979

Clc1ncc2[nH]ccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.38
PRKCI P41743 4/20 0.37
AXL P30530 2/20 0.37
CSNK2A1 P68400 1/20 0.35
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
CDK2 P24941 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
RHEB Q15382 3/20 0.31
NR4A2 P43354 2/20 0.31
CYP2A6 P11509 1/20 0.31
CMA1 P23946 1/20 0.31
F7 P08709 1/20 0.31
LTA4H P09960 1/20 0.31
F3 P13726 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL22576013 1.00 AHR (0.38) AHRPRKCIAXLCSNK2A1DYRK1A
SCHEMBL22576128 0.77 AXL (0.44) AHRPRKCIAXLDYRK1AALDH1A1
SCHEMBL2674872 0.77 AHR (0.38) AHRPRKCIAXLMAPK1IGF1R
SCHEMBL22576395 0.77 AXL (0.37) AHRPRKCIAXLDYRK1AALDH1A1
SCHEMBL30501980 0.77 AXL (0.44) AHRPRKCIAXLDYRK1AALDH1A1
SCHEMBL2369386 0.77 AHR (0.38) AHRPRKCIAXLDYRK1AMAPK1
SCHEMBL30501954 0.77 AXL (0.37) AHRPRKCIAXLDYRK1AALDH1A1
SCHEMBL113504 0.73 BRD4 (0.39) AHRPRKCICSNK2A1DYRK1AMAPK1
SCHEMBL2080807 0.72 AXL (0.35) AHRPRKCIAXLDYRK1AALDH1A1
SCHEMBL26794507 0.71 NOS1 (0.41) AXLCSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431358-A Pyrrolopyridines, compositions thereof and their use in medicine 中国科学院上海药物研究所 2025-02-14 CN disclosed
CN-111699185-B 6-azaindole compounds 百时美施贵宝公司 2023-06-27 CN disclosed