SCHEMBL25594753

SCHEMBL25594753

CNc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1C1CCOC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.64
▸ CCNK O75909 20/20 0.64
▸ CDK9 P50750 20/20 0.64
▸ CDK12 Q9NYV4 20/20 0.64
▸ CCNE1 P24864 17/20 0.64
▸ CDK2 P24941 17/20 0.64
▸ CDK7 P50613 8/20 0.61
▸ CCNH P51946 8/20 0.61
▸ MNAT1 P51948 5/20 0.61

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
SCHEMBL25594756 0.90 CCNT1 (0.59) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594764 0.84 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594769 0.84 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24583183 0.83 CCNK (0.68) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594546 0.83 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25596018 0.82 CCNT1 (0.67) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25591391 0.81 CCNT1 (0.64) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26628943 0.80 CCNK (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24583196 0.80 CCNK (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594747 0.80 CCNK (0.77) CCNT1CCNKCDK9CDK12CCNE1

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-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 — — EP disclosed
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