SCHEMBL25060796

SCHEMBL25060796

Nc1ncc(-c2ccc([S+]([O-])NC3CCCNC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ ALOX5AP P20292 11/20 0.39
▸ FEN1 P39748 10/20 0.39
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ PRKCZ Q05513 3/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRF1 P14222 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK6 Q00534 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
SCHEMBL25060659 0.84 ALOX5AP (0.50) MAPK1ALOX5APFEN1PRF1
SCHEMBL25060795 0.84 ALOX5AP (0.50) MAPK1ALOX5APFEN1PRF1
SCHEMBL25060790 0.81 MAPK1 (0.46) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL20091533 0.76 MAPK1 (0.59) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL18123071 0.76 MAPK1 (0.51) MAPK1ALOX5APFEN1PRF1
SCHEMBL29914392 0.75 MAPK1 (0.61) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL24681135 0.75 MAPK1 (0.61) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL25060612 0.75 MAPK1 (0.55) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL18113016 0.74 MAPK1 (0.57) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL18113022 0.74 MAPK1 (0.55) MAPK1ALOX5APFEN1PARP10PARP11

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-3724180-B1 COMPOUNDS FOR THE DEGRADATION OF STK4 AND TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA FARBER CANCER INST INC (US) 2023-02-22 — — EP disclosed
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