SCHEMBL22083695

SCHEMBL22083695

O=CNc1cnc2ccc(N3CCC(F)C3)nn12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL22084144 0.82 HTT (0.44) NTRK1IRAK4
SCHEMBL23408640 0.78 PIM1 (0.40) NTRK1IRAK4AAK1
SCHEMBL14881490 0.78 IRAK4 (0.47) NTRK1IRAK4AAK1
SCHEMBL14881458 0.78 IRAK4 (0.47) NTRK1IRAK4AAK1
SCHEMBL14896935 0.77 NTRK1 (0.46) NTRK1IRAK4
SCHEMBL21765939 0.77 PDE10A (0.44) NTRK1IRAK4AAK1
SCHEMBL14881665 0.77 PIM1 (0.42) IRAK4AAK1
SCHEMBL14882280 0.77 PIM1 (0.42) IRAK4AAK1
SCHEMBL21765944 0.77 IRAK4 (0.48) NTRK1IRAK4AAK1
SCHEMBL21765966 0.77 IRAK4 (0.46) NTRK1IRAK4AAK1

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
WO-2020114465-A1 PREPARATION AND APPLICATION OF HETEROAROMATIC IMINAZOLE COMPOUND 上海轶诺药业有限公司 2020-06-11 — — WO disclosed
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