SCHEMBL10524717

SCHEMBL10524717

CNc1nc2c(c3cccnc13)C(C)CC(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 9/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL10527375 0.89 KAT2B (0.37) KAT2BBRD4CREBBPTNKSTNKS2
SCHEMBL10526697 0.88 IDO1 (0.37) KAT2BBRD4CREBBPTNKSTNKS2
SCHEMBL10526729 0.87 IDO1 (0.36) KAT2BBRD4CREBBP
SCHEMBL10527283 0.86 BRD4 (0.39) KAT2BBRD4CREBBP
SCHEMBL10527272 0.86 TNKS (0.36) KAT2BBRD4CREBBPTNKSTNKS2
SCHEMBL10526781 0.85 LATS1 (0.37) KAT2BBRD4CREBBP
SCHEMBL10924720 0.85 ALDH1A1 (0.35) BRD4CREBBP
SCHEMBL10525166 0.84 CCNB2 (0.37) KAT2BTNKSTNKS2GSK3BCCNB2
SCHEMBL10524485 0.83 TLR8 (0.45) KAT2BGSK3B
SCHEMBL10527803 0.82 DHFR (0.35) KAT2BBRD4TNKSTNKS2GSK3B

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
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 — — US claimed
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 — — US disclosed
EP-0253171-A1 Pyrido[1,8]naphthyridinones, process for their preparation and their use and compositions containing them Beiersdorf-Lilly GmbH (DE) 1988-01-20 — — EP disclosed
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