SCHEMBL19670370

SCHEMBL19670370

O=C(Nc1cnccn1)N1c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ HTR2C P28335 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ CCNC P24863 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ BRAF P15056 4/20 0.35
▸ KDR P35968 3/20 0.35
▸ MPL P40238 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRIN2B Q13224 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
SCHEMBL19670235 0.90 GSK3B (0.36) MAPTABL1MEN1KMT2A
SCHEMBL17618655 0.86 CCNC (0.39) P2RX7CCNCCDK8MPLMAPT
SCHEMBL19364899 0.85 ALOX15 (0.38) HTR2CCYP1A2HTR2BBRAFKDR
SCHEMBL19365761 0.84 MAPT (0.37) MAPTMEN1KMT2A
SCHEMBL19670491 0.84 FAAH (0.38) CDK8KMT2A
SCHEMBL19365409 0.79 RAB9A (0.41) ABL1MEN1KMT2A
SCHEMBL19365410 0.79 RAB9A (0.41) ABL1MEN1KMT2A
SCHEMBL16776170 0.78 FGFR4 (0.45) HTR2CHTR2ACYP1A2HTR2B
SCHEMBL19365401 0.78 MALT1 (0.40) —
SCHEMBL19365400 0.78 MALT1 (0.40) —

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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