SCHEMBL10507263

SCHEMBL10507263

c1cc(C2=NCCN2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 15/20 1.00
LMNA P02545 1/20 0.62
RECQL P46063 1/20 0.62
TOP2A P11388 2/20 0.60
TOP2B Q02880 2/20 0.60
HTR1D P28221 1/20 0.58
ADRA1A P35348 1/20 0.58
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL5476725 0.88 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL105024 0.82 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
Ammonia Solution, Strong SCHEMBL7104964 0.80 NISCH (0.96) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL533283 0.80 NISCH (0.67) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL28772851 0.80 NISCH (0.96) NISCHLMNARECQLTOP2ATOP2B
Bromide SCHEMBL29039569 0.80 NISCH (0.96) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL2518908 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8141372 0.78 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL771337 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL17826831 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4246394-A PROMOTER FOR CROSSLINKING VEBA-CHEMIE AKTIENGESELLSCHAFT (DE) 1981-01-20 US claimed
EP-0159011-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DAIICHI SEIYAKU CO., LTD. (JP) 1989-08-02 EP disclosed
US-4833242-A ANTIBIOTICS, BACTERICIDES DAIICHI SEIYAKU CO., LTD. (JP) 1989-05-23 US disclosed
US-4605744-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1986-08-12 US disclosed
EP-0159011-A2 Cephalosporin derivatives, process for preparing them and pharmaceutical compositions containing them DAIICHI SEIYAKU CO., LTD. (JP) 1985-10-23 EP disclosed
US-4537969-A AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS HOFFMANN-LA ROCHE INC. (US) 1985-08-27 US disclosed
EP-0148283-A1 Novel penicillanic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-17 EP disclosed
US-4431653-A ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 1984-02-14 US disclosed
US-4246394-A PROMOTER FOR CROSSLINKING VEBA-CHEMIE AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed