SCHEMBL21170102

SCHEMBL21170102

CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
FYN P06241 6/20 0.41
CLK1 P49759 1/20 0.40
LDHB P07195 1/20 0.39
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
JAK2 O60674 1/20 0.38
NR1I2 O75469 2/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
KDM1A O60341 1/20 0.36
DPP4 P27487 1/20 0.36
CCNT1 O60563 1/20 0.35
CCND1 P24385 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 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
SCHEMBL21170038 0.86 DPP4 (0.42) HPGDSFYNCLK1LDHBPIK3CA
SCHEMBL12287723 0.86 DPP4 (0.42) HPGDSFYNCLK1LDHBPIK3CA
SCHEMBL12287289 0.86 DPP4 (0.42) HPGDSFYNCLK1LDHBPIK3CA
SCHEMBL21170446 0.83 HPGDS (0.44) HPGDSFYNLDHBPIK3CAMAPK8
SCHEMBL21170083 0.82 FYN (0.42) HPGDSFYNLDHBPIK3CAMAPK8
SCHEMBL12287323 0.81 NPC1 (0.40) HPGDSFYNLDHBPIK3CAMAPK8
SCHEMBL12286690 0.81 LDHB (0.47) FYNLDHBPIK3CAMAPK8MAPK9
SCHEMBL19422102 0.79 FYN (0.40) FYNLDHBPIK3CAMAPK8MAPK9
SCHEMBL19422104 0.79 FYN (0.40) FYNLDHBPIK3CAMAPK8MAPK9
SCHEMBL12287611 0.79 HPGDS (0.42) HPGDSFYNCLK1PIK3CAMAPK8

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
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed