SCHEMBL23336402

SCHEMBL23336402

CN(C)C/C=C/C(=O)Nc1ccc(NC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 2/20 0.46
▸ CCNY Q8ND76 2/20 0.46
▸ PIP4K2A P48426 3/20 0.44
▸ PIP4K2B P78356 3/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ EGFR P00533 8/20 0.43
▸ ERBB2 P04626 3/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43

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
SCHEMBL22106124 0.85 CDK14 (0.46) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL20764166 0.84 CDK14 (0.47) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL16665103 0.84 NMT1 (0.58) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL13067824 0.83 EGFR (0.47) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL13389249 0.83 EGFR (0.55) CDK14CCNYPIP4K2APIP4K2BEGFR
SCHEMBL16665568 0.82 PIP4K2A (0.50) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL17141876 0.82 PIP4K2A (0.50) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL20093336 0.81 EGFR (0.56) CDK14CCNYPIP4K2APIP4K2BNR4A1
SCHEMBL18113964 0.81 KDM4E (0.49) CDK14CCNYPIP4K2APIP4K2BCDK7
SCHEMBL23336317 0.81 KDM4E (0.49) CDK14CCNYPIP4K2APIP4K2BCDK7

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
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 — — EP disclosed
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