SCHEMBL2148648

SCHEMBL2148648

Clc1nc(Cl)n2c(Cl)ccc2n1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
TYRO3 Q06418 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL31625491 0.62 PDE10A (0.52)
SCHEMBL31625035 0.58 CHEK1 (0.31) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL2148531 0.55
SCHEMBL20781 0.53
SCHEMBL1332087 0.53
SCHEMBL31064887 0.50 ALDH1A1 (0.89) ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL11176077 0.50 ALDH1A1 (0.89) ALDH1A1ALOX15TSHR
SCHEMBL31212831 0.50 ALDH1A1 (0.89) ALDH1A1ALOX15TSHR
SCHEMBL1163861 0.50 ALDH1A1 (0.89) ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL28513754 0.50 ALDH1A1 (0.89) ALDH1A1ALOX15TSHR

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
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed