SCHEMBL30397934

SCHEMBL30397934

FC(F)(F)c1cnc(N[C@@H]2CCC[C@H](N3CCNCC3)C2)nc1OC1COC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.44
CCNK O75909 13/20 0.39
CDK12 Q9NYV4 13/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
MNAT1 P51948 4/20 0.39
CDK2 P24941 13/20 0.39
CCNE1 P24864 12/20 0.39
CCNT1 O60563 10/20 0.39
CDK9 P50750 10/20 0.39
CDK1 P06493 2/20 0.39
KDR P35968 1/20 0.38
PTK2 Q05397 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CCNB1 P14635 1/20 0.35

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
SCHEMBL25205550 0.83 ULK1 (0.41) ULK1CDK2CCNE1CDK1KDR
SCHEMBL31006885 0.82 CCNK (0.56) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25531573 0.82 CCNK (0.56) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25531402 0.82 ULK1 (0.49) ULK1CCNKCDK12CDK2CCNE1
SCHEMBL30397492 0.82 ULK1 (0.49) ULK1CCNKCDK12CDK2CCNE1
SCHEMBL25522696 0.81 ULK1 (0.55) ULK1CCNKCDK12CDK7CCNH
SCHEMBL25531460 0.81 ULK1 (0.43) ULK1CCNKCDK12CDK7CCNH
SCHEMBL25525391 0.81 ULK1 (0.38) ULK1CCNKCDK12CDK7CCNH
SCHEMBL30397859 0.81 ULK1 (0.42) ULK1CCNKCDK12CDK7CCNH
SCHEMBL30397476 0.81 ULK1 (0.42) ULK1CCNKCDK12CDK7CCNH

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed