SCHEMBL9728952

SCHEMBL9728952

Cc1cc(-c2ccccc2)n2nc(C)c(C#N)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 4/20 1.00
HPGD P15428 4/20 1.00
MAPT P10636 7/20 0.66
NTRK1 P04629 5/20 0.65
PIM1 P11309 5/20 0.65
MAPK1 P28482 4/20 0.60
HSD17B10 Q99714 4/20 0.60
GLA P06280 1/20 0.60
ACVR1 Q04771 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL25973846 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDMAPTNTRK1
SCHEMBL9537611 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDMAPTNTRK1
SCHEMBL8768671 0.77 KDM4E (0.66) KDM4EALDH1A1HPGDMAPTNTRK1
SCHEMBL3418501 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTNTRK1
SCHEMBL3296447 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDNTRK1PIM1
SCHEMBL10843180 0.75 POLB (0.62) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL8822991 0.75 KMT2A (0.66) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL9534772 0.72 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL10842278 0.70 POLB (0.58) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL29283642 0.70 NTRK1 (0.81) KDM4EALDH1A1HPGDMAPTNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed