SCHEMBL13736645

SCHEMBL13736645

CN1CCC(c2ccc(-n3nccc3-c3cccs3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
FLT3 P36888 2/20 0.36
ALDH1A1 P00352 4/20 0.36
QDPR P09417 1/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
KIT P10721 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL13737298 0.85 FLT3 (0.48) KDM4EPOLBMEN1KMT2AFLT3
SCHEMBL13734221 0.81 ACVR1 (0.41) KDM4EFLT3ALDH1A1HPGDL3MBTL1
SCHEMBL13734652 0.76 NPC1 (0.56) KDM4EPOLBMEN1KMT2ANPSR1
SCHEMBL13733383 0.76 FLT3 (0.40) KDM4EPOLBMEN1KMT2AFLT3
SCHEMBL13735494 0.76 ALDH1A1 (0.43) KDM4EPOLBMEN1KMT2ANPSR1
SCHEMBL13735901 0.75 ALDH1A1 (0.43) KDM4EPOLBMEN1KMT2ANPSR1
SCHEMBL13736589 0.74 ALDH1A1 (0.43) KDM4EPOLBMEN1KMT2ANPSR1
SCHEMBL13734775 0.73 KDM4E (0.40) KDM4EPOLBMEN1KMT2ANPSR1
SCHEMBL13733921 0.70 SMN1; SMN2 (0.39) KDM4EMEN1KMT2AFLT3ALDH1A1
SCHEMBL13735031 0.70 HTT (0.49) KDM4EMEN1KMT2ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed