SCHEMBL2643726

SCHEMBL2643726

CN(C)c1ncc(-c2cccc(Nc3ccc(-c4ccco4)cc3N)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.42
EGFR P00533 1/20 0.40
BLK P51451 1/20 0.37
BTK Q06187 1/20 0.37
BUB1 O43683 1/20 0.35
DHFR P00374 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC3 O15379 4/20 0.35
FLT3 P36888 1/20 0.34
LCLAT1 Q6UWP7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ADORA2A P29274 1/20 0.33
LIMK2 P53671 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL7834286 0.90 ALK (0.46) ALKEGFRBLKBTKBUB1
SCHEMBL7828783 0.84 TP53 (0.41) ALKEGFR
SCHEMBL7834583 0.84 ALDH1A1 (0.37) ALKDHFRHDAC2HDAC3
SCHEMBL8323635 0.77 DHFR (0.40) EGFRDHFR
SCHEMBL7831824 0.75 TP53 (0.41) ALK
SCHEMBL2643742 0.73 MAP4K4 (0.42) ALKHDAC2HDAC3CHEK1
SCHEMBL2643366 0.72 ALK (0.40) ALKBLKBTKPRMT6HDAC2
SCHEMBL7832457 0.69 ABL1 (0.45) ALKHDAC2FLT3CHEK1
SCHEMBL7834274 0.69 AKR1B1 (0.36)
SCHEMBL7820174 0.69 KDR (0.42) DHFRFLT3

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 5 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
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