SCHEMBL20154919

SCHEMBL20154919

Cn1cc(-c2cnc(Nc3ccc(C#N)nc3)nc2NC2CCCNC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.65
TYRO3 Q06418 7/20 0.59
CHEK2 O96017 2/20 0.56
LCK P06239 2/20 0.56
LYN P07948 2/20 0.56
PIM1 P11309 2/20 0.56
RPS6KB1 P23443 2/20 0.56
FLT3 P36888 2/20 0.56
BLK P51451 2/20 0.56
PRKAG1 P54619 2/20 0.56
PRKAA1 Q13131 2/20 0.56
PIM3 Q86V86 2/20 0.56
PRKAB1 Q9Y478 2/20 0.56
AXL P30530 4/20 0.53
MERTK Q12866 2/20 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
SCHEMBL20154918 1.00 CHEK1 (0.65) CHEK1TYRO3CHEK2LCKLYN
SCHEMBL20155640 1.00 CHEK1 (0.65) CHEK1TYRO3CHEK2LCKLYN
SCHEMBL22617557 0.83 IRAK4 (0.49) CHEK1TYRO3CHEK2LCKLYN
SCHEMBL20155301 0.81 CHEK1 (0.65) CHEK1TYRO3CHEK2LCKLYN
SCHEMBL20155647 0.77 TYRO3 (0.65) CHEK1TYRO3AXLMERTK
SCHEMBL20154977 0.76 CHEK1 (0.60) CHEK1TYRO3
SCHEMBL21299941 0.75 CHEK1 (0.49) CHEK1TYRO3
SCHEMBL21795881 0.74 TYRO3 (1.00) TYRO3AXLMERTK
SCHEMBL21795861 0.74 TYRO3 (0.79) TYRO3AXLMERTK
SCHEMBL21795800 0.74 TYRO3 (0.81) TYRO3AXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530656-B1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF UNIV ZHEJIANG (CN) 2022-01-05 EP disclosed
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 WO disclosed