SCHEMBL7878729

SCHEMBL7878729

O=C1Nc2ccc(Cl)cc2C1=Cc1c[nH]cn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.58
PSEN1 P49768 3/20 0.55
PSEN2 P49810 3/20 0.55
APH1B Q8WW43 3/20 0.55
NCSTN Q92542 3/20 0.55
APH1A Q96BI3 3/20 0.55
PSENEN Q9NZ42 3/20 0.55
RET P07949 1/20 0.55
PDGFRB P09619 2/20 0.54
RPS6KA3 P51812 1/20 0.53
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
TGM2 P21980 1/20 0.51
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
MDM2 Q00987 2/20 0.48

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
SCHEMBL14519137 1.00 LRRK2 (0.58) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5727946 0.84 PDPK1 (0.55) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5367197 0.84 MAPT (0.52) LRRK2RETPDGFRBRPS6KA3TGM2
SCHEMBL5727942 0.84 PDPK1 (0.55) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5849994 0.84 RET (0.55) LRRK2RETPDGFRBRPS6KA3
SCHEMBL5728661 0.84 RET (0.55) LRRK2RETPDGFRBRPS6KA3
Su-9516 SCHEMBL25386665 0.81 TLK2 (0.61) LRRK2RETPDGFRBRPS6KA3MDM2
Su-9516 SCHEMBL30567582 0.81 TLK2 (0.61) LRRK2RETPDGFRBRPS6KA3MDM2
Su-9516 SCHEMBL19424245 0.81 TLK2 (0.61) LRRK2RETPDGFRBRPS6KA3MDM2
SCHEMBL5728250 0.81 GSK3B (0.65) LRRK2RETPDGFRBRPS6KA3

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
US-6316635-B1 USED IN PROPHYLAXIS AND THERAPY OF PROTEIN KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER, DIABETES, AUTOIMMUNE DISORDER, HYPERPROLIFERATION DISORDER, INFLAMMATORY DISORDER, ANGIOGENESIS, RESTENOSIS, FIBROSIS, PSORIASIS, OSTEOARTHRITIS SUGEN, INC. 2001-11-13 US claimed