SCHEMBL31465366

SCHEMBL31465366

Nc1cc(C(F)F)nc2ccnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.43
▸ CCNA1 P78396 3/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.40
▸ CCNT1 O60563 16/20 0.38
▸ CDK9 P50750 16/20 0.38
▸ CDK4 P11802 4/20 0.38
▸ CCND1 P24385 4/20 0.38
▸ CDK7 P50613 4/20 0.38
▸ CCNH P51946 4/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PDE2A O00408 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ CCNK O75909 1/20 0.34
▸ CDK14 O94921 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CCNE1 P24864 1/20 0.34

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
SCHEMBL26874533 0.83 CCNT1 (0.53) CDK2CCNA1CCNA2CCNT1CDK9
SCHEMBL17787567 0.81 CCNT1 (0.43) CDK2CCNA1CCNA2CHEK1PDE10A
SCHEMBL31465378 0.81 PDE10A (0.41) CDK2CCNA1CCNA2PDE10ACCNT1
SCHEMBL31465383 0.81 PDE10A (0.41) CDK2CCNA1CCNA2PDE10ACCNT1
SCHEMBL26872947 0.79 CCNA2 (0.47) CDK2CCNA1CCNA2CHEK1CCNT1
SCHEMBL26873181 0.79 CCNT1 (0.47) CDK2CCNA1CCNA2CHEK1CCNT1
SCHEMBL26873161 0.79 CCNT1 (0.47) CDK2CCNA1CCNA2CHEK1CCNT1
SCHEMBL26872928 0.79 CCNT1 (0.47) CDK2CCNA1CCNA2CHEK1CCNT1
SCHEMBL31465470 0.79 PDE10A (0.61) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL26874521 0.79 CCNT1 (0.53) CDK2CCNA1CCNA2CHEK1PDE10A

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-2025068090-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2025-04-03 — — WO disclosed
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