SCHEMBL30309734

SCHEMBL30309734

O=Nc1c(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5R1 Q15078 10/20 1.00
▸ CCNE1 P24864 9/20 1.00
▸ CDK2 P24941 9/20 1.00
▸ CDK5 Q00535 9/20 1.00
▸ FLT3 P36888 5/20 1.00
▸ CDK1 P06493 8/20 0.81
▸ CCNB1 P14635 7/20 0.81
▸ AURKA O14965 2/20 0.81
▸ IKBKB O14920 1/20 0.81
▸ NTRK1 P04629 1/20 0.81
▸ CCNT1 O60563 2/20 0.76
▸ CDK9 P50750 2/20 0.76
▸ STK17B O94768 3/20 0.73
▸ STK17A Q9UEE5 2/20 0.73
▸ GSK3B P49841 7/20 0.69
▸ GSK3A P49840 5/20 0.69
▸ CCNB2 O95067 4/20 0.69
▸ CCNB3 Q8WWL7 4/20 0.69
▸ ALOX5 P09917 2/20 0.67
▸ CCNA2 P20248 2/20 0.67

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
SCHEMBL29904409 0.89 CCNE1 (1.00) CDK5R1CCNE1CDK2CDK5FLT3
Indirubin-3-Monoxime SCHEMBL29354191 0.82 CDK5R1 (1.00) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL29484209 0.80 GSK3B (1.00) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL30319818 0.80 GSK3B (0.83) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL30319828 0.80 CDK5R1 (1.00) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL30141665 0.80 CDK5R1 (1.00) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL30319823 0.77 CCNE1 (0.63) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL151534 0.73 CTSV (0.79) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL30272743 0.73 CTSV (0.79) CDK5R1CCNE1CDK2CDK5FLT3
SCHEMBL30272741 0.73 CTSV (0.79) CDK5R1CCNE1CDK2CDK5FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3866786-B1 COMPOSITIONS AND METHODS FOR SUPPRESSING AND/OR TREATING METABOLIC DISEASES AND/OR A CLINICAL CONDITION THEREOF CK REGEON INC (KR) 2024-09-18 — — EP disclosed
CN-112334131-B Pharmaceutical composition comprising indirubin derivative as active ingredient CK生物技术公司 2024-04-05 — — CN disclosed
CN-111093620-B Composition for preventing hair loss or promoting hair growth CK雷容股份有限公司 2023-05-05 — — CN disclosed
CN-115969814-A Novel pharmaceutical formulations containing indirubin and derivatives thereof and methods of making and using the same 法斯瑞斯公司 2023-04-18 — — CN disclosed
CN-110536686-B Pharmaceutical composition comprising indirubin derivative as active ingredient CK雷容股份有限公司 2023-03-24 — — CN disclosed
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