SCHEMBL25527110

SCHEMBL25527110

CNc1ncc(C(F)(F)F)c(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
CDK1 P06493 6/20 0.46
ULK1 O75385 2/20 0.44
LCK P06239 1/20 0.44
PTK2 Q05397 2/20 0.44
GPR39 O43194 1/20 0.42
RAB9A P51151 1/20 0.41
KDR P35968 2/20 0.41
CDK2 P24941 1/20 0.41
MAPT P10636 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL25204693 0.77 MAPT (0.46) EGFRCDK1RAB9AKDRMAPT
SCHEMBL25239800 0.75 SDHB (0.46) EGFRCDK1RAB9AKDRCDK2
SCHEMBL30397985 0.75 SDHB (0.46) EGFRCDK1RAB9AKDRCDK2
SCHEMBL31666577 0.73 CCNK (0.60) CDK2
SCHEMBL31666668 0.73 CCNK (0.60) CDK2
SCHEMBL25523794 0.70 KDR (0.47) CDK1ULK1PTK2KDRCDK2
SCHEMBL16462604 0.70 NUDT1 (0.44) GPR39RAB9AMAPT
SCHEMBL15221838 0.70 LRRK2 (0.60) ULK1
SCHEMBL25529316 0.70 LRRK2 (0.47) ULK1
SCHEMBL17547452 0.69 ULK1 (0.79) EGFRCDK1ULK1PTK2KDR

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed