SCHEMBL22084151

SCHEMBL22084151

O=[N+]([O-])c1cnc2ccc(N3CCC(F)C3)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ AAK1 Q2M2I8 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 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
SCHEMBL22084167 0.82 MAPT (0.52) MAPTCYP1A2CYP2C9PIM1IRAK4
SCHEMBL14882280 0.81 PIM1 (0.42) PIM1IRAK4AAK1MAP4K4DYRK3
SCHEMBL14881665 0.81 PIM1 (0.42) PIM1IRAK4AAK1MAP4K4DYRK3
SCHEMBL23408640 0.79 PIM1 (0.40) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL21765939 0.78 PDE10A (0.44) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL14881490 0.77 IRAK4 (0.47) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL14881458 0.77 IRAK4 (0.47) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL21765944 0.76 IRAK4 (0.48) PIM1IRAK4AAK1NTRK1
SCHEMBL21765966 0.76 IRAK4 (0.46) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL18654925 0.76 IRAK4 (0.48) PIM1IRAK4AAK1NTRK1

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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