SCHEMBL17907480

SCHEMBL17907480

CC(C)(C)Cc1nnc(-c2ccnc3[nH]ccc23)o1.c1ccc(Cc2nnc(-c3ccnc4[nH]ccc34)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ROCK1 Q13464 3/20 0.44
JAK2 O60674 2/20 0.44
PRKACA P17612 2/20 0.44
JAK3 P52333 2/20 0.44
PRKCQ Q04759 2/20 0.44
AURKB Q96GD4 2/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL2355622 0.91 AURKB (0.52) RAB9ANPC1HPGDSMN1; SMN2ROCK1
SCHEMBL2358817 0.90 JAK2 (0.46) ROCK1JAK2PRKACAJAK3PRKCQ
SCHEMBL2356649 0.80 CCNK (0.55) RAB9AHPGDROCK1AURKBPTK2
SCHEMBL2356502 0.78 ROCK1 (0.48) RAB9ANPC1HPGDSMN1; SMN2ROCK1
SCHEMBL2357985 0.76 SMN1; SMN2 (0.55) RAB9ANPC1HPGDSMN1; SMN2ROCK1
SCHEMBL2357610 0.75 IKBKB (0.49) RAB9ANPC1SMN1; SMN2ROCK1JAK2
SCHEMBL5112553 0.75 IKBKB (0.47) ROCK1JAK2PRKACAJAK3PRKCQ
Cyclopentane SCHEMBL2358084 0.74 CCNK (0.48) ROCK1JAK2PRKACAJAK3PRKCQ
SCHEMBL5122070 0.73 NEK1 (0.45) ROCK1JAK2PRKACAJAK3PRKCQ
SCHEMBL2356243 0.72 CIT (0.47) ROCK1JAK2PRKACAJAK3PRKCQ

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-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP claimed