SCHEMBL14335673

SCHEMBL14335673

Cc1cc(-c2ccn(C(C)C)n2)cs1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
GAA P10253 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
TGFBR1 P36897 1/20 0.31
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL14335979 0.83 DYRK1A (0.39) DYRK1AARPRMT5WDR77TGFBR1
SCHEMBL2053284 0.74 DYRK1A (0.40) DYRK1A
SCHEMBL14375504 0.74 DYRK1A (0.49) DYRK1AGAAKMT2APRMT5WDR77
SCHEMBL14335966 0.73 DYRK1A (0.42) DYRK1AAR
SCHEMBL23986239 0.72 RAB9A (0.47) DYRK1AALDH1A1KMT2AKDM4EMAPT
SCHEMBL27015063 0.72 DYRK1A (0.48) DYRK1AGAAHPGDALDH1A1HTT
SCHEMBL27015076 0.71 PDE10A (0.45) DYRK1AHPGDALDH1A1KMT2AKDM4E
SCHEMBL2051388 0.71 DYRK1A (0.40) DYRK1A
SCHEMBL14336174 0.70 GAA (0.40) GAAAPOBEC3GHPGDALDH1A1ALOX12
SCHEMBL16911874 0.70 ESR2 (0.41) DYRK1AARPRMT5WDR77

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-2012175513-A1 THIENYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO disclosed