SCHEMBL31403685

SCHEMBL31403685

Cc1cn(C(C)C)c2ncc(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.41
HCAR2 Q8TDS4 1/20 0.38
NTRK1 P04629 6/20 0.37
RXRA P19793 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
P4HA1 P13674 1/20 0.35
MIF P14174 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
PTPN11 Q06124 1/20 0.34
NAPRT Q6XQN6 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
SCHEMBL31403687 1.00 HCAR3 (0.41) HCAR3HCAR2NTRK1RXRALCK
SCHEMBL31403530 0.84 ATM (0.42) NTRK1
SCHEMBL17963082 0.81 HCAR2 (0.40) HCAR3HCAR2RXRAP4HA1MIF
SCHEMBL25588028 0.80 HCAR2 (0.39) HCAR3HCAR2RXRAP4HA1MIF
SCHEMBL22272666 0.77 TYK2 (0.37) NTRK1
SCHEMBL20318948 0.77 HCAR2 (0.36) HCAR3HCAR2RXRAP4HA1MIF
SCHEMBL15971061 0.76 HCAR3 (0.44) HCAR3HCAR2LCKKDRTEK
SCHEMBL20688047 0.74 CCND1 (0.36) NTRK1
SCHEMBL20688204 0.74 TYK2 (0.38) NTRK1KDR
SCHEMBL26581186 0.74 HCAR3 (0.52) HCAR3HCAR2

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-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed