SCHEMBL25993003

SCHEMBL25993003

COCCNc1ccc(NC(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.43
F2 P00734 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH3 Q9ULD8 2/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL26005514 0.81 NAMPT (0.40) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17561644 0.78 PRSS1 (0.49) PRSS1F2ST14SMN1; SMN2NPC1
SCHEMBL4161233 0.77 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL13545923 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1THRBRAB9AMAPT
SCHEMBL128126 0.76 MAPT (0.47) KCNH3GAAMAPTALDH1A1TDP1
SCHEMBL3248482 0.76 ADRA2A (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL9680720 0.74 KCNH3 (0.49) KCNH3GAAMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL3337783 0.74 KCNH3 (0.49) KCNH3GAAMAPTALDH1A1TDP1
SCHEMBL1996992 0.74 F2 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3062486 0.74 KCNH3 (0.65) SMN1; SMN2NPC1RAB9AKCNH3GAA

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-2023152773-A1 SOLID FORMS OF MOMELOTINIB SALTS AND IMPROVED PROCESSES FOR THE PREPARATION OF MOMELOTINIB DR. REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2023-08-17 WO disclosed