SCHEMBL6818769

SCHEMBL6818769

Nc1c(NCCC2CC2)ncnc1-c1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
DDR1 Q08345 1/20 0.33
CCNT1 O60563 2/20 0.33
SLC34A1 Q06495 2/20 0.32
CRHR1 P34998 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 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
SCHEMBL6814839 0.88 CRHR1 (0.39) JAK2JAK1CCNT1CRHR1
SCHEMBL6818798 0.84 ABL1 (0.36) FFAR4JAK2JAK1ABL1BCR
SCHEMBL6821870 0.84 ENPP1 (0.36) JAK2JAK1CCNT1CRHR1SCN9A
SCHEMBL6083103 0.79 MDM2 (0.39) FFAR4CRHR1
SCHEMBL6082522 0.75 KDM4E (0.37) FFAR4CRHR1
SCHEMBL6082517 0.75 KDM4E (0.37) FFAR4CRHR1
SCHEMBL6813739 0.73 DYRK1A (0.38) JAK2JAK1CRHR1
SCHEMBL6082274 0.70 CRHR1 (0.38) FFAR4CRHR1SCN5A
SCHEMBL6082269 0.70 CRHR1 (0.38) FFAR4CRHR1SCN5A
SCHEMBL6817674 0.69 CRHR1 (0.36) FFAR4CCNT1CRHR1

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-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed