SCHEMBL7006376

SCHEMBL7006376

Nc1ncc(C#Cc2ccc(Cl)cc2)c(N[C@H]2CC[C@@H](O)CC2)n1.Nc1ncc(C#Cc2ccc(Cl)cc2)c(N[C@H]2CC[C@H](O)CC2)n1.Nc1ncc(C#Cc2ccc(Cl)cc2)c(Nc2ccc(O)cc2)n1.Nc1ncc(C#Cc2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1.O[C@H]1CC[C@H](Nc2ncncc2C#Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.38
FLT3 P36888 4/20 0.38
TYRO3 Q06418 4/20 0.38
GAS6 Q14393 4/20 0.38
EGFR P00533 7/20 0.38
ERBB2 P04626 7/20 0.38
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
BCL6 P41182 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
SYK P43405 1/20 0.33
ADORA1 P30542 1/20 0.33
AXL P30530 1/20 0.32
BTK Q06187 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7006373 0.91 EGFR (0.37) MERTKFLT3TYRO3GAS6EGFR
SCHEMBL722277 0.82 CHUK (0.42) MERTKFLT3TYRO3GAS6MAPK8
SCHEMBL3250942 0.82 CHUK (0.42) MERTKFLT3TYRO3GAS6MAPK8
SCHEMBL3253565 0.82 CHUK (0.42) MERTKFLT3TYRO3GAS6MAPK8
SCHEMBL3244787 0.80 TP53 (0.38) MERTKFLT3TYRO3GAS6ADORA1
SCHEMBL3252430 0.80 CHUK (0.44) MERTKFLT3TYRO3GAS6MAPK8
SCHEMBL3252423 0.80 CHUK (0.44) MERTKFLT3TYRO3GAS6MAPK8
SCHEMBL3244784 0.80 TP53 (0.38) MERTKFLT3TYRO3GAS6ADORA1
SCHEMBL3251095 0.79 AURKA (0.45) BCL6SYKTP53POLBGAA
SCHEMBL3253630 0.78 PRKCQ (0.41) MERTKFLT3TYRO3GAS6MAPK8

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-1303495-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY Krenitsky Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
WO-2002008205-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed