SCHEMBL30007907

SCHEMBL30007907

Cc1cc2[nH]ncc2c(Br)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
TDO2 P48775 1/20 0.44
METAP2 P50579 8/20 0.42
NOS1 P29475 6/20 0.39
AXL P30530 2/20 0.39
CYP1A2 P05177 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
FGFR1 P11362 1/20 0.36
DYRK1A Q13627 3/20 0.35
CSNK2A1 P68400 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL21195949 1.00 IDO1 (0.44) IDO1TDO2METAP2NOS1AXL
SCHEMBL29937394 0.88 IDO1 (0.41) IDO1TDO2METAP2NOS1AXL
SCHEMBL30959639 0.85 IDO1 (0.44) IDO1TDO2METAP2NOS1AXL
SCHEMBL21195941 0.83 IDO1 (0.46) IDO1TDO2METAP2NOS1AXL
SCHEMBL29804020 0.83 IDO1 (0.46) IDO1TDO2METAP2NOS1AXL
SCHEMBL21196238 0.82 IDO1 (0.48) IDO1TDO2METAP2NOS1AXL
SCHEMBL30410207 0.81 IDO1 (0.47) IDO1TDO2METAP2NOS1AXL
SCHEMBL19948646 0.81 IDO1 (0.47) IDO1TDO2METAP2NOS1AXL
SCHEMBL21263644 0.81 IDO1 (0.46) IDO1TDO2METAP2NOS1CYP1A2
SCHEMBL21196262 0.80 IDO1 (0.47) IDO1TDO2METAP2NOS1AXL

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-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
WO-2024123102-A1 NOVEL TRICYCLIC COMPOUND AS KRAS G12D INHIBITOR, AND USE THEREOF 에스케이바이오팜 주식회사 2024-06-13 WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
EP-4076662-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2022-10-26 EP disclosed