SCHEMBL19951733

SCHEMBL19951733

Cc1cc(F)cc2c1C(NC(=O)O)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TRPV1 Q8NER1 6/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BDKRB1 P46663 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL19948748 0.86 RIPK1 (0.39) RIPK1KDM4ESMN1; SMN2TRPV1OPRL1
SCHEMBL19948761 0.83 PDE10A (0.41) KDM4ECYP1A2PDE10AMEN1KMT2A
SCHEMBL18710387 0.80 HTR1D (0.31) —
SCHEMBL16290325 0.79 TNKS (0.31) —
SCHEMBL16290324 0.77 CA1 (0.47) OPRL1MEN1KMT2ACA12CA1
SCHEMBL18710440 0.76 HTR2A (0.31) —
SCHEMBL16290385 0.74 HTR2A (0.34) —
SCHEMBL18710390 0.73 SCN9A (0.35) OPRL1BDKRB1
SCHEMBL16290658 0.72 CA12 (0.36) BDKRB1CA12CA1CA2CA7
SCHEMBL17040899 0.70 BDKRB1 (0.44) BDKRB1

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-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 — — WO disclosed
Send feedback