SCHEMBL2643560

SCHEMBL2643560

CN(C)c1ncc(-c2cccc(N)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.65
DHFR P00374 1/20 0.52
MEN1 O00255 1/20 0.49
PSIP1 O75475 1/20 0.49
AXL P30530 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAOA P21397 1/20 0.48
KIT P10721 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NTRK1 P04629 1/20 0.42
METAP2 P50579 1/20 0.41
ENPP2 Q13822 1/20 0.41
FYN P06241 2/20 0.40

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
SCHEMBL13680644 0.80 DHFR (0.44) MAP4K4DHFRRAB9AMETAP2
SCHEMBL30866464 0.79 MAP4K4 (0.62) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL980427 0.79 MAP4K4 (0.62) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL2643156 0.79 MAP4K4 (1.00) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL24270332 0.77 MAP4K4 (0.74) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL21729930 0.77 GRM5 (0.57) DHFRMEN1NPC1RAB9A
SCHEMBL14266225 0.76 CLK4 (0.53) MAP4K4NTRK1FYN
SCHEMBL15340936 0.76 ATM (0.44) MAP4K4DHFR
SCHEMBL979785 0.75 MAP4K4 (0.65) MAP4K4DHFRMEN1PSIP1AXL
SCHEMBL4081141 0.75 DYRK1A (0.49) DHFRMEN1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
US-5902813-A MODULATORS OF THE BENZODIAXEPINE RECEPTOR OT THE GAMMA-BUTYRIC ACID(A) RECEPTOR COMPLEX; ANXIOLYTIC, ANTIEPILEPTIC AND -CONVULSANT AGENTS; SLEEP AND MEMORY DISORDERS NEUROSEARCH A/S (DK) 1999-05-11 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed