SCHEMBL11892634

SCHEMBL11892634

NCCC(Nc1cccc(-c2n[nH]c3nc(N)ncc23)n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.43
▸ PIM1 P11309 3/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ RPS6KB1 P23443 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CCNT1 O60563 4/20 0.34
▸ CDK9 P50750 4/20 0.34
▸ MAPK1 P28482 6/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ IRAK4 Q9NWZ3 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
SCHEMBL11892633 0.92 FLT3 (0.42) FLT3PIM1PIM3PIM2RPS6KB1
SCHEMBL11892624 0.86 FLT3 (0.43) FLT3RPS6KB1AURKAAURKBMAPK1
SCHEMBL11892637 0.82 RPS6KB1 (0.39) RPS6KB1AURKAAURKBMAPK1
SCHEMBL10322937 0.81 FLT3 (0.56) FLT3PIM1CCNT1MAPK8MAPK9
SCHEMBL10353924 0.81 FLT3 (0.56) FLT3PIM1CCNT1MAPK8MAPK9
SCHEMBL11892641 0.78 FYN (0.42) FLT3PIM1PIM3PIM2CCNT1
SCHEMBL11892635 0.78 DYRK1A (0.47) FLT3RPS6KB1MAPK1MAPK8MAPK9
SCHEMBL10322609 0.74 FLT3 (0.48) FLT3PIM1CCNT1MAPK8MAPK9
SCHEMBL11892621 0.69 PIM1 (0.40) PIM1PIM3PIM2CCNT1MAPK1
SCHEMBL10323191 0.69 MAPK8 (0.47) FLT3PIM1PIM3PIM2RPS6KB1

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-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
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