SCHEMBL29332811

SCHEMBL29332811

CCOC(=O)c1cn(-c2ccc(F)cc2)nc1C(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 6/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 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
SCHEMBL19807432 0.87 NPSR1 (0.47) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL6052295 0.84 NPC1 (0.66) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL29332803 0.82 RAB9A (0.63) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL20367013 0.82 RAB9A (0.63) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL3720221 0.81 NPC1 (0.40) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL408901 0.80 NPC1 (0.60) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL29332037 0.80 KMT2A (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29332800 0.79 NPC1 (0.59) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL19186 0.78 JMJD6 (0.44) NPC1RAB9ALMNANPSR1MAPK1
SCHEMBL22331098 0.78 NPSR1 (0.73) NPC1RAB9ALMNANPSR1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed