SCHEMBL25588028

SCHEMBL25588028

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
RXRA P19793 2/20 0.38
P4HA1 P13674 2/20 0.36
P4HTM Q9NXG6 2/20 0.36
MIF P14174 1/20 0.36
HCAR3 P49019 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NAPRT Q6XQN6 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN11 Q06124 1/20 0.35
MGAM O43451 1/20 0.35
SPR P35270 3/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17963082 0.83 HCAR2 (0.40) HCAR2RXRAP4HA1P4HTMMIF
SCHEMBL31403685 0.80 HCAR3 (0.41) HCAR2RXRAP4HA1P4HTMMIF
SCHEMBL31403687 0.80 HCAR3 (0.41) HCAR2RXRAP4HA1P4HTMMIF
SCHEMBL14605287 0.79 PTPN11 (0.34) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL20318948 0.78 HCAR2 (0.36) HCAR2RXRAP4HA1P4HTMMIF
SCHEMBL13341877 0.76 NOS3 (0.36) KDM4E
SCHEMBL24967186 0.75 RXRA (0.34) HCAR2RXRAP4HA1P4HTMMIF
SCHEMBL31403567 0.75 HSD17B10 (0.40) HCAR2RXRAHCAR3HSD17B10SPR
SCHEMBL15144409 0.71 KDM4E (0.47) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL31632800 0.71 SCN2B (0.49) RXRAALDH1A1PTPN11SPRKMT2A

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
EP-4183786-A1 DERIVATIVES OF QUINOLINES AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES Felicitex Therapeutics, Inc. (US) 2023-05-24 EP disclosed