SCHEMBL19670703

SCHEMBL19670703

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cnc(C(F)(F)F)cn2)C2CCN3C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 13/20 0.41
▸ HCRTR2 O43614 8/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL16754506 1.00 HCRTR1 (0.41) HCRTR1HCRTR2CYP2C19PIK3CAMAPK1
SCHEMBL16754474 0.88 ABL1 (0.38) MAPK1ABL1
SCHEMBL16754278 0.88 WNT3A (0.40) ABL1
SCHEMBL16238798 0.88 WNT3A (0.40) ABL1
SCHEMBL17778385 0.88 WNT3A (0.40) ABL1
SCHEMBL16754298 0.87 WNT3A (0.38) HCRTR1MAPK1ABL1
SCHEMBL17618717 0.87 SMO (0.38) PIK3CAMAPK1ABL1
SCHEMBL17618513 0.86 HCRTR1 (0.42) HCRTR1MAPK1ABL1
SCHEMBL19699129 0.86 WNT3A (0.41) HCRTR1ABL1
SCHEMBL17770584 0.85 ABL1 (0.36) MAPK1ABL1

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
Send feedback