SCHEMBL22899497

SCHEMBL22899497

CC(C)c1cnn2c(NC3CCCC3)cc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.46
▸ CDK9 P50750 7/20 0.46
▸ CDK7 P50613 7/20 0.46
▸ CCNT1 O60563 5/20 0.46
▸ CCNH P51946 5/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK4 P11802 4/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CCND1 P24385 3/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ CDK3 Q00526 2/20 0.46
▸ CDK6 Q00534 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NR2F2 P24468 1/20 0.46

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
SCHEMBL33377999 0.86 CSNK2B (0.60) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL31064144 0.85 CDK2 (0.43) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22449329 0.84 CDK9 (0.49) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL14427510 0.83 CDK2 (0.44) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL28551273 0.83 CDK7 (0.43) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22899498 0.83 RAB9A (0.51) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL24174228 0.82 CDK2 (0.50) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL18309940 0.80 LMNA (0.41) CDK2CDK9CDK7CCNHCCNE1
SCHEMBL14427502 0.79 ALDH1A1 (0.53) CDK2CDK9CDK7CCNT1CDK4
SCHEMBL21481514 0.78 CDK2 (0.36) CDK2CDK9CDK7CCNT1CCNH

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-2021011689-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2021-01-21 — — WO disclosed
Send feedback