SCHEMBL21760698

SCHEMBL21760698

Cc1nc2sccn2c1I

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.59
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 3/20 0.49
ALOX15 P16050 1/20 0.43
KDR P35968 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL637539 0.78 CYP1A2 (0.66) ALOX12CYP1A2TDP1MAPK1PKM
SCHEMBL21894538 0.76 ALOX12 (0.59) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL21893409 0.73 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL13255816 0.73 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL6209906 0.72 ALOX12 (0.54) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL21893779 0.72 ALOX12 (0.54) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL10514418 0.72 ALOX12 (0.54) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL9516847 0.71 MAPK1 (0.59) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL10998420 0.71 TDP1 (1.00) ALOX12CYP1A2TDP1MAPK1PKM
SCHEMBL9363424 0.69 ALOX12 (0.51) ALOX12CYP1A2TDP1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
EP-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed