SCHEMBL28800404

SCHEMBL28800404

c1ccc2nnc(C3CNCCN3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
BMPR1B O00238 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
PRKCZ Q05513 1/20 0.32
PARP10 Q53GL7 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
SCHEMBL9733257 0.78 CYP3A4 (0.41) KDM4EPARP1ALDH1A1MAPTHPGD
SCHEMBL6233129 0.77 CYP1A2 (0.41) KDM4EBMPR1BPDGFRBKDRACVR1B
SCHEMBL4177876 0.74 TDP1 (0.41) KDM4EBMPR1BPDGFRBKDRACVR1B
SCHEMBL29733076 0.73 MEN1 (0.50) KDM4EACHECHRNB2CHRNA4MEN1
SCHEMBL6233506 0.73 BMPR1B (0.36) KDM4EBMPR1BPDGFRBKDRACVR1B
Hydrochloric Acid SCHEMBL29733079 0.72 MEN1 (0.49) KDM4EACHECHRNB2CHRNA4MEN1
Hydrochloric Acid SCHEMBL29733077 0.72 MEN1 (0.49) KDM4EACHECHRNB2CHRNA4MEN1
Hydrochloric Acid SCHEMBL29733086 0.72 MEN1 (0.49) KDM4EACHECHRNB2CHRNA4MEN1
SCHEMBL5675376 0.70 MEN1 (0.57) ROCK2ROCK1ALDH1A1HPGDMEN1
SCHEMBL5675201 0.70 MPO (0.44) KDM4EPARP1ALDH1A1GLAMAPT

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
CN-102822172-A Substituted naphthyridines and their use as syk kinase inhibitors BOEHRINGER INGELHEIM INT 2012-12-12 CN disclosed