SCHEMBL13575076

SCHEMBL13575076

C#Cc1ccc2c(c1)c(-c1nc(N)ncc1Cl)cn2COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.38
▸ CCNT1 O60563 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ MAP3K14 Q99558 3/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ PIKFYVE Q9Y2I7 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 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
SCHEMBL1612885 0.91 DYRK1A (0.48) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1612961 0.76 DYRK1A (0.67) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1613333 0.76 DYRK1A (0.51) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614081 0.75 PAK4 (0.45) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614094 0.73 PAK4 (0.43) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614097 0.72 PAK4 (0.44) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614344 0.72 CCNT1 (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12714670 0.72 CCNT1 (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1826891 0.72 CCNT1 (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1613487 0.71 MAP3K14 (0.56) MAP3K14

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-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
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