SCHEMBL24693282

SCHEMBL24693282

CNC(=O)Cc1cccnc1NCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.52
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ABCB1 P08183 1/20 0.43
FLT1 P17948 2/20 0.42
CIT O14578 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL427330 0.76 KDR (0.69) KDRABCB1FLT1CITMAP3K7
SCHEMBL1715372 0.74 KDR (0.65) KDRABCB1RETMAP3K20RIPK3
SCHEMBL25945416 0.74 KDR (0.56) KDRABCB1FLT1CITMAP3K7
SCHEMBL6542710 0.74 KDR (0.62) KDRALDH1A1
SCHEMBL3413933 0.74 ALDH1A1 (0.56) ALDH1A1GAAMAPTHDAC1HDAC6
SCHEMBL30595572 0.73 KDR (0.62) KDRALDH1A1ABCB1MAP4K4RET
SCHEMBL5261234 0.73 KDR (0.62) KDRALDH1A1ABCB1MAP4K4RET
SCHEMBL8570752 0.73 P2RX7 (0.47) ALDH1A1GAAMAPT
SCHEMBL9753927 0.73 SMN1; SMN2 (0.50) ALDH1A1GAAMAPTEGFR
SCHEMBL28236466 0.71 KDR (0.62) KDRMAPT

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-2022254255-A1 NEURO-MESENCHYME UNITS CONTROL ILC2 AND OBESITY VIA A BRAIN-ADIPOSE CIRCUIT FUNDACAO D. ANNA DE SOMMERCHAMPALIMAUD E DR. (PT) 2022-12-08 WO disclosed