SCHEMBL21188541

SCHEMBL21188541

CCCCc1cnc(NC)nc1-c1c[nH]c2nc(N(N)/C(C)=N\N)ccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 3/20 0.32
▸ CCNH P51946 3/20 0.32
▸ MNAT1 P51948 3/20 0.32
▸ PDPK1 O15530 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
SCHEMBL21188482 0.71 PDPK1 (0.37) PDPK1
SCHEMBL27428231 0.63 NUDT1 (0.35) CDK7CCNHMNAT1
SCHEMBL19461895 0.60 TLR8 (0.43) —
SCHEMBL21188782 0.58 CLK1 (0.43) CDK7CCNHMNAT1
Water SCHEMBL28123349 0.55 TYR (0.33) —
SCHEMBL29848848 0.54 BRD4 (0.47) —
SCHEMBL16651985 0.54 BRD4 (0.47) —
SCHEMBL25043383 0.52 MEN1 (0.40) —
SCHEMBL12627364 0.52 JAK2 (0.65) CDK7CCNHMNAT1
SCHEMBL22994824 0.52 NR4A2 (0.53) CDK7CCNHMNAT1

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-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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