SCHEMBL23838372

SCHEMBL23838372

Cc1cnc(NC2CCCCC2)nc1-c1cnn(C)c1CC1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 4/20 0.64
▸ CDK9 P50750 4/20 0.64
▸ CSNK1A1 P48729 2/20 0.64
▸ CCNK O75909 2/20 0.64
▸ CDK12 Q9NYV4 2/20 0.64
▸ CCNT1 O60563 2/20 0.64
▸ CCNH P51946 2/20 0.64
▸ CDK13 Q14004 1/20 0.64
▸ CSNK1D P48730 1/20 0.64
▸ CSNK1E P49674 1/20 0.64
▸ CCNA2 P20248 7/20 0.44
▸ CDK2 P24941 7/20 0.44
▸ CCNA1 P78396 7/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL20421822 0.89 CDK9 (0.80) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL18480107 0.89 CDK9 (0.80) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL21648732 0.88 CDK9 (0.81) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL21648785 0.88 CDK7 (0.81) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL23666447 0.86 CDK7 (0.48) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL22858143 0.85 CDK9 (0.79) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL22858342 0.83 CDK7 (0.80) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL22858144 0.81 CDK7 (0.80) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL23666446 0.81 CDK7 (0.53) CDK7CDK9CSNK1A1CCNKCDK12
SCHEMBL18480113 0.80 PIK3C3 (0.61) CDK7CDK9CSNK1A1CCNKCDK12

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-3331877-B1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-09-22 — — EP disclosed
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