SCHEMBL3783586

SCHEMBL3783586

OC[C@@H]1CCCN1c1ccnc2c(-c3cccc4ccccc34)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.49
KDM4E B2RXH2 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
BCL6 P41182 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
SYK P43405 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KRAS P01116 1/20 0.37
GPR39 O43194 1/20 0.37

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
SCHEMBL3783590 1.00 METAP2 (0.49) METAP2KDM4EMKNK1MKNK2CCNE2
SCHEMBL3788019 0.74 HRH4 (0.49)
SCHEMBL1333145 0.69 METAP2 (0.58) METAP2MKNK1MKNK2ADORA2AADORA1
SCHEMBL1333147 0.69 METAP2 (0.58) METAP2MKNK1MKNK2ADORA2AADORA1
SCHEMBL1333041 0.66 METAP2 (1.00) METAP2
SCHEMBL3067496 0.66 CCNE2 (0.44) METAP2MKNK1MKNK2CCNE2CDK4
SCHEMBL2493834 0.66 MKNK1 (0.42) METAP2MKNK1MKNK2CCNE2CDK4
SCHEMBL13258193 0.65 HTR2C (0.37)
SCHEMBL15042218 0.65 BCL6 (0.54) KDM4ECCNE2CDK4CCND1CCNE1
SCHEMBL9215294 0.65 PRKD3 (0.38) KDM4ECDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed