SCHEMBL7739738

SCHEMBL7739738

N[C@H]1CC[C@H](Nc2nc(NCCc3ccc(O)cc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.71
▸ CCNE1 P24864 17/20 0.71
▸ PDGFRA P16234 3/20 0.71
▸ CDK1 P06493 16/20 0.69
▸ CCNE2 O96020 4/20 0.69
▸ FLT3 P36888 4/20 0.69
▸ CCNB2 O95067 3/20 0.69
▸ CDK4 P11802 3/20 0.69
▸ CCNB1 P14635 3/20 0.69
▸ CCND1 P24385 3/20 0.69
▸ CCNB3 Q8WWL7 3/20 0.69
▸ CCNA2 P20248 1/20 0.67
▸ CCNA1 P78396 1/20 0.67
▸ CCNT1 O60563 1/20 0.64
▸ CDK7 P50613 1/20 0.64
▸ CDK9 P50750 1/20 0.64
▸ CCNH P51946 1/20 0.64
▸ MNAT1 P51948 1/20 0.64
▸ CDK5 Q00535 1/20 0.64
▸ CDK5R1 Q15078 1/20 0.64

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
SCHEMBL7739727 1.00 CDK2 (0.71) CDK2CCNE1PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6821662 0.99 CDK2 (0.70) CDK2CCNE1PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6821665 0.99 CDK2 (0.70) CDK2CCNE1PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6821007 0.90 CDK2 (0.81) CDK2CCNE1PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6821008 0.90 CDK2 (0.81) CDK2CCNE1PDGFRACDK1CCNE2
SCHEMBL6942289 0.89 CDK2 (0.66) CDK2CCNE1PDGFRACDK1CCNE2
SCHEMBL6942284 0.89 CDK2 (0.66) CDK2CCNE1PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6944431 0.88 CCNE1 (0.65) CDK2CCNE1PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6944436 0.88 CCNE1 (0.65) CDK2CCNE1PDGFRACDK1CCNE2
SCHEMBL27570965 0.86 CDK2 (0.77) CDK2CCNE1PDGFRACDK1CCNE2

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
US-6413974-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE AVENTIS PHARMACEUTICALS INC. 2002-07-02 — — US disclosed
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