SCHEMBL31095374

SCHEMBL31095374

Nc1cn(-c2cccc(CO)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ ABL2 P42684 2/20 0.44
▸ CFTR P13569 1/20 0.42
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ AOC2 O75106 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ MIF P14174 1/20 0.34

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
SCHEMBL25211896 1.00 ABL1 (0.44) ABL1EGFRCDK1SRCABL2
SCHEMBL15976500 0.84 AOC2 (0.33) ABL1EGFRCDK1SRCABL2
SCHEMBL25192825 0.80 VHL (0.48) ABL1EGFRCDK1SRCABL2
SCHEMBL8243459 0.78 KDM4E (0.48) CFTR
SCHEMBL9454807 0.76 CFTR (0.49) ABL1EGFRCDK1SRCABL2
SCHEMBL31095502 0.76 HTR2A (0.47) ABL1EGFRCDK1SRCABL2
SCHEMBL25200436 0.76 HTR2A (0.47) ABL1EGFRCDK1SRCABL2
SCHEMBL25202979 0.76 PI4KA (0.47) —
SCHEMBL31095252 0.76 PI4KA (0.47) —
SCHEMBL25512847 0.76 ALDH1A1 (0.46) —

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-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 — — CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 — — CN disclosed
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