SCHEMBL28452973

SCHEMBL28452973

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)[nH]c4ccc6c7ccccc7oc6c45)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ ZAP70 P43403 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ HCRTR1 O43613 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PLA2G2A P14555 2/20 0.34
▸ PLA2G4A P47712 2/20 0.34
▸ KMT2A Q03164 2/20 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
SCHEMBL20129531 0.93 JAK2 (0.43) CDK4CCND1JAK2ZAP70SYK
SCHEMBL15497546 0.91 CDK4 (0.49) CDK4CCND1JAK2ZAP70SYK
SCHEMBL25689151 0.88 CDK4 (0.51) CDK4CCND1JAK2ZAP70SYK
SCHEMBL19784586 0.83 MAPT (0.38) CDK4CCND1JAK2ZAP70SYK
SCHEMBL21186970 0.82 ALDH1A1 (0.40) ALOX5MAPTALDH1A1TSHRPOLB
SCHEMBL21186950 0.82 ALDH1A1 (0.40) ALOX5MAPTALDH1A1TSHRPOLB
SCHEMBL22057751 0.81 ALOX5 (0.39) JAK2ZAP70SYKHCRTR1ALOX5
SCHEMBL21186891 0.81 ALDH1A1 (0.40) ALOX5MAPTALDH1A1TSHRPOLB
SCHEMBL21186971 0.81 ALDH1A1 (0.40) ALOX5MAPTALDH1A1TSHRPOLB
SCHEMBL21186963 0.81 ALDH1A1 (0.40) ALOX5MAPTALDH1A1TSHRPOLB

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
CN-108017642-B Organic compound, and organic light emitting diode and organic light emitting display device including the same 乐金显示有限公司 2020-09-08 — — CN disclosed
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