SCHEMBL30649231

SCHEMBL30649231

CC(C)Nc1ccnc2ccnn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ CCNT1 O60563 16/20 0.40
▸ CDK9 P50750 16/20 0.40
▸ KCNN3 Q9UGI6 1/20 0.40
▸ DGAT1 O75907 1/20 0.37
▸ CDK4 P11802 4/20 0.36
▸ CCND1 P24385 4/20 0.36
▸ CDK7 P50613 3/20 0.36
▸ CCNH P51946 3/20 0.36
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK3 Q00526 1/20 0.34
▸ LRRK2 Q5S007 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
SCHEMBL4878728 0.79 PIK3CD (0.38) PIK3CDPIK3R1CCNT1CDK9KCNN3
SCHEMBL20484514 0.76 DGAT1 (0.36) PIK3CDPIK3R1CCNT1CDK9KCNN3
SCHEMBL14564413 0.75 KCNN3 (0.40) PIK3CDPIK3R1CCNT1CDK9KCNN3
SCHEMBL14158215 0.73 KCNN3 (0.71) CCNT1CDK9KCNN3CDK2
SCHEMBL4569211 0.72 DGAT1 (0.43) PIK3CDPIK3R1CCNT1CDK9KCNN3
SCHEMBL11962829 0.71 KDM4E (0.49) CDK2LRRK2
SCHEMBL12258899 0.71 OXTR (0.41) LRRK2
SCHEMBL11568710 0.70 PIK3CD (0.37) PIK3CDPIK3R1CCNT1CDK9KCNN3
SCHEMBL2034177 0.70 CDK9 (0.52) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL22971391 0.70 KCNH2 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 — — US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 — — US disclosed
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