SCHEMBL6606691

SCHEMBL6606691

CC(C)(N)c1c[nH]c2cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.46
AR P10275 1/20 0.41
ASH1L Q9NR48 1/20 0.39
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KIF11 P52732 1/20 0.38
PARP1 P09874 1/20 0.36
HTR2A P28223 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
PRKCI P41743 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 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
SCHEMBL396776 0.87 IMPDH2 (0.46) IMPDH2ARASH1LCLK1CDK5
SCHEMBL27694047 0.81 IMPDH2 (0.42) IMPDH2ARASH1LCLK1CDK5
SCHEMBL5646170 0.81 GPR84 (0.50) HTR2AMEN1KMT2A
SCHEMBL9011480 0.81 GPR84 (0.50) HTR2A
SCHEMBL2577669 0.80 AR (0.58) IMPDH2ARASH1LCLK1CDK5
SCHEMBL27694046 0.76 HTR2A (0.47) IMPDH2KIF11HTR2AMEN1KMT2A
SCHEMBL19667114 0.76 SPR (0.44) KIF11PARP1MEN1KMT2AKDM4E
SCHEMBL28338789 0.76 IMPDH2 (0.38) IMPDH2ARASH1LCLK1CDK5
SCHEMBL7192679 0.76 ATM (0.50) IMPDH2HTR2AMEN1KMT2AKDM4E
SCHEMBL395010 0.73 ATM (0.52) IMPDH2ASH1LCLK1CDK5CDK5R1

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
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed