SCHEMBL902891

SCHEMBL902891

Cc1cc(Nc2cccc(-c3cccc(CCNC(=O)O)c3)n2)nn1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.45
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
IKBKB O14920 2/20 0.38
CHUK O15111 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.37
SLC5A1 P13866 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
BRAF P15056 1/20 0.36
HPGD P15428 1/20 0.36
ADORA2A P29274 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL902605 0.80 KARS1 (0.56) KARS1NPC1RAB9A
SCHEMBL12469132 0.79 KARS1 (0.72) KARS1NPC1ALDH1A1MAPTRAB9A
SCHEMBL901872 0.77 KARS1 (0.52) KARS1NPC1RAB9ABRAF
SCHEMBL901917 0.76 KARS1 (0.53) KARS1
SCHEMBL1704829 0.75 KARS1 (0.43) KARS1NPC1ALDH1A1MAPTRAB9A
SCHEMBL902923 0.74 NPC1 (0.36) KARS1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL902774 0.73 ALDH1A1 (0.37) KARS1NPC1ALDH1A1MAPTRAB9A
SCHEMBL901844 0.73 KARS1 (0.52) KARS1MAPTSLC5A1HPGD
SCHEMBL901976 0.73 ALDH1A1 (0.46) NPC1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL901874 0.73 ASIC3 (0.47) KDM4ELMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed