SCHEMBL30010331

SCHEMBL30010331

Cc1ccc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 1.00
CSF1R P07333 2/20 0.69
ROR1 Q01973 3/20 0.64
GAK O14976 1/20 0.63
MLNR O43193 1/20 0.63
RIPK2 O43353 1/20 0.63
JAK2 O60674 1/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
MAP4K4 O95819 1/20 0.63
EGFR P00533 1/20 0.63
NR3C1 P04150 1/20 0.63
ERBB2 P04626 1/20 0.63
NTRK1 P04629 1/20 0.63
LCK P06239 1/20 0.63
FYN P06241 1/20 0.63
PGR P06401 1/20 0.63
YES1 P07947 1/20 0.63
LYN P07948 1/20 0.63
RET P07949 1/20 0.63

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
SCHEMBL27149597 1.00 ABL1 (1.00) ABL1CSF1RROR1GAKMLNR
SCHEMBL27148419 0.90 ABL1 (0.81) ABL1CSF1RROR1DDR1DDR2
SCHEMBL30010525 0.90 ABL1 (0.81) ABL1CSF1RROR1DDR1DDR2
SCHEMBL16644465 0.89 ABL1 (1.00) ABL1CSF1RROR1GAKMLNR
SCHEMBL16644461 0.89 ABL1 (0.84) ABL1CSF1RROR1GAKMLNR
SCHEMBL30788441 0.89 ABL1 (0.80) ABL1CSF1RROR1GAKMLNR
SCHEMBL30788453 0.88 ABL1 (0.79) ABL1CSF1RROR1GAKMLNR
SCHEMBL31544608 0.88 ABL1 (0.79) ABL1CSF1RROR1GAKMLNR
SCHEMBL30788442 0.88 ABL1 (0.79) ABL1CSF1RROR1GAKMLNR
SCHEMBL16644533 0.88 ABL1 (0.78) ABL1CSF1RROR1GAKMLNR

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-4580617-A2 SMALL MOLECULE INHIBITORS OF BCR-ABL Oregon Health & Science University (US) 2025-07-09 EP disclosed
CN-120018845-A Small molecule inhibitors of BCR-ABL 俄勒冈健康与科学大学 2025-05-16 CN disclosed
WO-2024049854-A2 SMALL MOLECULE INHIBITORS OF BCR-ABL OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-03-07 WO disclosed
EP-4326269-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS Oregon Health & Science University (US) 2024-02-28 EP disclosed
WO-2022225972-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-10-27 WO disclosed