SCHEMBL5312404

SCHEMBL5312404

Clc1cncc2sc(-c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
MAP3K8 P41279 10/20 0.46
PLK4 O00444 3/20 0.43
AURKA O14965 3/20 0.43
DAPK3 O43293 3/20 0.43
CHEK2 O96017 3/20 0.43
CDK1 P06493 3/20 0.43
PIM1 P11309 3/20 0.43
CDK2 P24941 3/20 0.43
MAPK9 P45984 3/20 0.43
CSNK1D P48730 3/20 0.43
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43
CSNK2A1 P68400 3/20 0.43
DYRK1A Q13627 3/20 0.43
AURKB Q96GD4 3/20 0.43
PLK3 Q9H4B4 3/20 0.43
PIM2 Q9P1W9 3/20 0.43

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
SCHEMBL28083935 0.79 HDAC3 (0.47) MAPK1POLBRAB9ANPC1ALDH1A1
SCHEMBL4740142 0.78 KDM4E (0.47) ICAM1SELEVCAM1LIMK1POLB
SCHEMBL4248304 0.76 APP (0.49) ICAM1SELEVCAM1MAP3K8MAPK1
SCHEMBL5554204 0.73 MAP3K8 (0.71) ICAM1SELEVCAM1MAP3K8PIM1
SCHEMBL3708981 0.72 ICAM1 (0.56) ICAM1SELEVCAM1PLK4AURKA
SCHEMBL13299937 0.72 ESR1 (0.50) MAPK1POLBRAB9AKDM4ENPC1
SCHEMBL1595609 0.70 ICAM1 (0.47) ICAM1SELEVCAM1MAP3K8CDK1
SCHEMBL23093512 0.69 ICAM1 (0.57) ICAM1SELEVCAM1PLK4AURKA
SCHEMBL5333499 0.69 ICAM1 (0.53) ICAM1SELEVCAM1PIM1ALDH1A1
SCHEMBL30744177 0.69 ICAM1 (0.57) ICAM1SELEVCAM1PLK4AURKA

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
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 WO disclosed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed