SCHEMBL8969612

SCHEMBL8969612

Cc1ccc2c(c1)CN1C=CC=CC1=N2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8968650 0.88 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969579 0.81 EGFR (0.37) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969494 0.81 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8968669 0.81 NPSR1 (0.31) NPSR1
SCHEMBL10767417 0.77 HPGD (0.41) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8969143 0.76
SCHEMBL8969635 0.75 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969712 0.74 KDM4E (0.32) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8968706 0.74 MAPT (0.36) GAAKDM4EALDH1A1
SCHEMBL8969002 0.73 ACHE (0.39) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed