SCHEMBL27062796

SCHEMBL27062796

c1cnc2[nH]nc(-c3ccnc(N4CCNCC4)n3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.51
▸ CCNA2 P20248 4/20 0.51
▸ CDK2 P24941 4/20 0.51
▸ CDK9 P50750 4/20 0.51
▸ RET P07949 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ACHE P22303 3/20 0.46
▸ PIM1 P11309 5/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL9881936 0.83 PRKCA (0.64) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL1834932 0.81 PRKCQ (0.49) ALDH1A1PIM1PIM3PIM2PRKCA
SCHEMBL17525868 0.80 PIM1 (0.53) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881926 0.79 PIM1 (0.65) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL27062792 0.78 CDK2 (0.82) CCNT1CCNA2CDK2CDK9RET
SCHEMBL9882039 0.78 PRKCQ (0.52) PIM1PIM3PIM2ADRB1PRKCA
SCHEMBL9881930 0.75 PRKCQ (0.54) ALDH1A1KDM4EPIM1PIM3PIM2
SCHEMBL8939690 0.74 CDK2 (0.83) CCNT1CCNA2CDK2CDK9RET
SCHEMBL9882374 0.74 PRKCQ (0.48) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9882040 0.74 PRKD1 (0.53) PIM1PIM3PIM2ADRB1PRKCA

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
EP-4310081-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF Suzhou Guokuang Pharmtech. Co., Ltd. (CN) 2024-01-24 — — EP disclosed
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