SCHEMBL7220924

SCHEMBL7220924

NCc1cnc2[nH]cc(F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
SGK1 O00141 1/20 0.43
DYRK1A Q13627 5/20 0.36
CLK1 P49759 3/20 0.36
METAP2 P50579 2/20 0.36
GSK3B P49841 3/20 0.35
LYN P07948 3/20 0.35
AXL P30530 3/20 0.35
ALK Q9UM73 3/20 0.35
DYRK3 O43781 2/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
ABL1 P00519 2/20 0.35
EGFR P00533 2/20 0.35
NTRK1 P04629 2/20 0.35
LCK P06239 2/20 0.35
FYN P06241 2/20 0.35
CDK1 P06493 2/20 0.35
CSF1R P07333 2/20 0.35

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
SCHEMBL24005713 0.83 PRMT5 (0.40) PRMT5WDR77DYRK1ACLK1METAP2
SCHEMBL7443703 0.79 PRMT5 (0.48) PRMT5WDR77SGK1BTKIGF1R
SCHEMBL29481417 0.79 PRMT5 (0.48) PRMT5WDR77SGK1BTKIGF1R
Hydrochloric Acid SCHEMBL7213801 0.78 PRMT5 (0.47) PRMT5WDR77SGK1BTKIGF1R
Hydrochloric Acid SCHEMBL29485586 0.78 PRMT5 (0.47) PRMT5WDR77SGK1BTKIGF1R
Hydrochloric Acid SCHEMBL16881193 0.78 PRMT5 (0.47) PRMT5WDR77SGK1BTKIGF1R
SCHEMBL30287195 0.73 DYRK1A (0.43) PRMT5WDR77DYRK1ACLK1METAP2
SCHEMBL25194118 0.73 DYRK1A (0.43) PRMT5WDR77DYRK1ACLK1METAP2
SCHEMBL13199598 0.73 CYP3A4 (0.44) PRMT5WDR77FLT3KITKDR
SCHEMBL1565867 0.73 DYRK1A (0.54) PRMT5WDR77DYRK1ACLK1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed