SCHEMBL20846166

SCHEMBL20846166

N#Cc1cnc2[nH]cc(-c3ccccc3OC(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.46
KIT P10721 2/20 0.43
NTRK1 P04629 2/20 0.41
PIK3CA P42336 1/20 0.41
NEK1 Q96PY6 1/20 0.41
DYRK1A Q13627 1/20 0.41
PDE2A O00408 1/20 0.40
DHODH Q02127 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ABL1 P00519 1/20 0.39
AXL P30530 1/20 0.39
CDK8 P49336 1/20 0.39
TNIK Q9UKE5 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CYP2C9 P11712 1/20 0.38
SCN9A Q15858 2/20 0.38
TRPA1 O75762 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL12763190 0.84 KIT (0.56) KITNTRK1DYRK1AABL1
SCHEMBL20846156 0.83 CAMKK2 (0.48) CAMKK2KITDYRK1AABL1AXL
SCHEMBL20846312 0.82 CAMKK2 (0.53) CAMKK2KITNTRK1PIK3CANEK1
SCHEMBL20846056 0.82 TRPA1 (0.44) CAMKK2KITNTRK1PIK3CANEK1
SCHEMBL20846160 0.80 CYP2C9 (0.47) KITNTRK1PIK3CANEK1DYRK1A
SCHEMBL20846190 0.80 HTR6 (0.45) GPR84TRPA1
SCHEMBL20846157 0.78 LRRK2 (0.49) CAMKK2KITNTRK1PIK3CANEK1
SCHEMBL20846163 0.78 JAK2 (0.48) KITNTRK1PIK3CANEK1DYRK1A
SCHEMBL20846316 0.78 AXL (0.57) CAMKK2KITNTRK1PIK3CANEK1
SCHEMBL20846293 0.76 DYRK1A (0.61) CAMKK2DYRK1AAXLCDK8GPR84

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-2019057660-A1 INDOLE AND AZAINDOLE COMPOUNDS WITH SUBSTITUTED 6-MEMBERED ARYL AND HETEROARYL RINGS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2019-03-28 WO disclosed