SCHEMBL17488376

SCHEMBL17488376

Cc1cnc(-c2cncc(F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
MET P08581 1/20 0.39
CYP11B2 P19099 7/20 0.37
CYP11B1 P15538 6/20 0.37
NOS1 P29475 1/20 0.35
CTSA P10619 2/20 0.35
PIK3CG P48736 1/20 0.35
POLQ O75417 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
DYRK1A Q13627 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
JAK2 O60674 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
SCHEMBL10066410 0.81 CYP11B1 (0.45) CYP11B2CYP11B1NOS1PIK3CGP2RX3
SCHEMBL290909 0.78 PIK3CG (0.35) PIM1CYP11B2CYP11B1PIK3CGPOLQ
SCHEMBL18569045 0.78 PIM1 (0.35) PIM1CYP11B2CYP11B1PIK3CGPOLQ
SCHEMBL2098130 0.77 MET (0.52) PIM1METCTSA
SCHEMBL17082452 0.77 CYP11B1 (0.39) PIM1CYP11B2CYP11B1PIK3CGPARP10
SCHEMBL2090445 0.76 APP (0.44) METNOS1CTSA
SCHEMBL290908 0.75 CYP11B2 (0.38) PIM1CYP11B2CYP11B1
SCHEMBL26847502 0.74 CYP11B1 (0.39) PIM1CYP11B2CYP11B1PIK3CGDYRK1A
SCHEMBL14817176 0.73 HSD17B1 (0.47) PIM1CYP11B2CYP11B1PIK3CGPARP10
SCHEMBL17823650 0.72 GRM5 (0.41) METPOLQ

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-2604267-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-02-03 EP disclosed