SCHEMBL1826891

SCHEMBL1826891

COCCn1cc(-c2nc(N)ncc2Cl)c2cc(C#CC3(O)CCC(C)C3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.41
▸ CDK7 P50613 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CCNH P51946 3/20 0.41
▸ MNAT1 P51948 3/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ MAP3K14 Q99558 8/20 0.36
▸ PAK4 O96013 3/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ PAK2 Q13177 1/20 0.36
▸ PKN1 Q16512 1/20 0.36
▸ PAK6 Q9NQU5 1/20 0.36
▸ PAK5 Q9P286 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ PIKFYVE Q9Y2I7 1/20 0.34
▸ CHUK O15111 1/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31

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
SCHEMBL12714670 1.00 CCNT1 (0.41) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614344 1.00 CCNT1 (0.41) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614081 0.90 PAK4 (0.45) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614094 0.85 PAK4 (0.43) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL12742580 0.85 CCNT1 (0.42) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614097 0.85 PAK4 (0.44) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL12714662 0.81 CHUK (0.41) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614037 0.80 MAP3K14 (0.47) DYRK1AMAP3K14PAK4PAK1PAK2
SCHEMBL13575081 0.80 NPC1 (0.38) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1612885 0.80 DYRK1A (0.48) CCNT1CDK7CDK9CCNHMNAT1

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
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