SCHEMBL13637632

SCHEMBL13637632

COc1ccc(-n2nc(C)cc2-c2cc(SC)ccn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DYRK3 O43781 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
OXTR P30559 8/20 0.35
AVPR1A P37288 6/20 0.33
OGA O60502 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PIK3CD O00329 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL13212930 0.85 DYRK3 (0.33) MEN1KMT2ADYRK3DYRK1ADYRK2
SCHEMBL2918014 0.84 RPA1 (0.43) MEN1KMT2AGAASMN1; SMN2
SCHEMBL2918833 0.82 JMJD6 (0.44) MEN1KMT2APOLBJMJD6GAA
SCHEMBL2915598 0.79 MALT1 (0.42) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2910906 0.75 CFTR (0.45) MEN1KMT2APOLBPIK3CDSMN1; SMN2
SCHEMBL2920424 0.72 RPA1 (0.46) MEN1KMT2AGAASMN1; SMN2
SCHEMBL14353634 0.71 LMNA (0.63) MEN1KMT2AOXTRCHRNB2CHRNA4
SCHEMBL13212903 0.70 CCR1 (0.41) MEN1KMT2AOXTRAVPR1AOGA
SCHEMBL2910909 0.69 JMJD6 (0.47) MEN1KMT2APOLBJMJD6GAA
SCHEMBL2909942 0.69 RPA1 (0.51) MEN1KMT2AGAASMN1; SMN2

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
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed