SCHEMBL17757145

SCHEMBL17757145

CN1CCC2(CC1)Nc1cc(Cl)c(Cl)cc1N=C2NCc1cnc(N2CCC(N(C)C)CC2)nc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.33
▸ SELP P16109 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30

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
SCHEMBL17757143 0.90 MAPK7 (0.34) —
SCHEMBL17757142 0.86 OPRM1 (0.33) —
SCHEMBL21982520 0.79 — —
SCHEMBL17757502 0.77 CCNT1 (0.38) —
SCHEMBL17757144 0.77 CCNT1 (0.33) —
SCHEMBL17757678 0.77 — —
SCHEMBL17757659 0.76 CCNT1 (0.40) —
SCHEMBL17757674 0.76 HRH4 (0.31) —
SCHEMBL17757671 0.75 GRM2 (0.36) —
SCHEMBL17757139 0.75 CDK2 (0.41) —

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
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — WO disclosed
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