SCHEMBL30810461

SCHEMBL30810461

Cn1cnc(-c2nc(NC3CCN(C(=O)OC(C)(C)C)CC3)ncc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 10/20 0.50
▸ CDK2 P24941 10/20 0.50
▸ CDK1 P06493 8/20 0.49
▸ CCNB1 P14635 8/20 0.49
▸ CDK4 P11802 7/20 0.49
▸ CCND1 P24385 7/20 0.49
▸ CCND3 P30281 7/20 0.49
▸ CDK6 Q00534 7/20 0.49
▸ CCNT1 O60563 3/20 0.49
▸ CDK7 P50613 3/20 0.49
▸ CDK9 P50750 3/20 0.49
▸ CCNH P51946 3/20 0.49
▸ MNAT1 P51948 3/20 0.49
▸ IDH1 O75874 2/20 0.46
▸ IDH2 P48735 1/20 0.46
▸ SYK P43405 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.44
▸ ALK Q9UM73 2/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL22977511 0.86 IDH1 (0.48) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL27213273 0.81 IDH1 (0.48) IDH1IDH2SYKGPR119ALK
SCHEMBL22900783 0.81 JAK1 (0.54) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL29926869 0.81 JAK1 (0.54) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30810431 0.81 CCNE1 (0.69) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL29821059 0.81 IDH1 (0.49) CCNT1IDH1IDH2SYKGPR119
SCHEMBL22901094 0.81 IDH1 (0.49) CCNT1IDH1IDH2SYKGPR119
SCHEMBL22977446 0.81 GPR119 (0.49) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30357709 0.81 GPR119 (0.44) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977174 0.81 GPR119 (0.44) CCNE1CDK2CDK1CCNB1CDK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543861-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY Nikang Therapeutics, Inc. (US) 2025-04-30 — — EP disclosed
CN-119630644-A Bifunctional compounds containing pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 — — CN disclosed
WO-2023249970-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 — — WO disclosed
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