SCHEMBL31330641

SCHEMBL31330641

Cc1nc2c(Br)nc(Cl)cc2c(=O)n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ EGFR P00533 1/20 0.39
▸ PIK3CA P42336 8/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MAT2A P31153 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL31330465 0.95 GAA (0.46) GAAALOX15EGFRPIK3CAGRM1
SCHEMBL31278641 0.79 EGFR (0.40) EGFRRXFP1ALDH1A1LMNA
SCHEMBL26988300 0.79 EGFR (0.40) EGFRRXFP1ALDH1A1LMNA
SCHEMBL31330439 0.75 HPGD (0.38) GAAEGFRRXFP1ALDH1A1CYP1A2
SCHEMBL31330668 0.75 EGFR (0.35) EGFRHCAR1
SCHEMBL31330656 0.74 GAA (0.40) GAAALOX15GRM1MAT2AALDH1A1
SCHEMBL31330633 0.73 PARG (0.38) —
SCHEMBL31330708 0.71 ADORA2A (0.40) CRHBPCRHR2MAPK1LMNA
SCHEMBL31330602 0.71 ADORA2A (0.37) CRHBPCRHR2MAPK1LMNA
SCHEMBL31330522 0.71 CNR1 (0.41) EGFRPIK3CACDK9ALDH1A1LMNA

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
EP-4720061-A1 TREM2 AGONISTS F. Hoffmann-La Roche AG (CH) 2026-04-08 — — EP disclosed
WO-2024246018-A1 TREM2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2024-12-05 — — WO disclosed
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