SCHEMBL30289735

SCHEMBL30289735

COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3=CCN(C(=O)C(C)C)CC3)c3ccnc(N)n23)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.45
EGFR P00533 6/20 0.43
CCNT1 O60563 7/20 0.43
CDK9 P50750 7/20 0.43

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
SCHEMBL30289638 0.95 BTK (0.44) BTKEGFRCCNT1CDK9
SCHEMBL30289593 0.95 BTK (0.44) BTKEGFRCCNT1CDK9
SCHEMBL28994182 0.93 EGFR (0.45) BTKEGFRCCNT1CDK9
SCHEMBL30289738 0.92 CCNT1 (0.46) BTKEGFRCCNT1CDK9
SCHEMBL30289630 0.88 EGFR (0.44) BTKEGFRCCNT1CDK9
SCHEMBL30289782 0.87 BTK (0.45) BTKEGFR
SCHEMBL30289579 0.86 BTK (0.48) BTKEGFR
SCHEMBL30289655 0.85 EGFR (0.47) BTKEGFR
SCHEMBL30289723 0.85 MAPK1 (0.49) BTKEGFR
SCHEMBL30289572 0.84 EGFR (0.54) BTKEGFR

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed