SCHEMBL8013138

SCHEMBL8013138

Nc1nc2nc(Cl)c(-c3ccc(OC(F)F)cc3)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
SCN5A Q14524 1/20 0.36
GRM2 Q14416 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
GRK5 P34947 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1A1 P48729 1/20 0.35
ACVR1 Q04771 1/20 0.35
PTK2 Q05397 1/20 0.35
TYRO3 Q06418 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35
IKBKE Q14164 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL8009410 0.79 KDM4E (0.43) KDM4EALDH1A1MAP4K4PAK4CSF1R
SCHEMBL8012335 0.78 MAP4K4 (0.55) KDM4EALDH1A1MAP4K4PAK4CSF1R
SCHEMBL8003726 0.78 JAK2 (0.53) F2RL3KDM4EALDH1A1SCN5AMAP4K4
SCHEMBL8007477 0.75 NPC1 (0.42) KDM4EALDH1A1MAP4K4PAK4CSF1R
SCHEMBL7997517 0.72 KDM4E (0.52) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL18615178 0.72 JAK2 (0.62) F2RL3GRM2PTK2ROCK1NPSR1
SCHEMBL8912927 0.64 KDM4E (0.45) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL26119457 0.63 MAP4K4 (0.43) SCN5AGRM2MAP4K4ROCK1ADORA1
SCHEMBL8009917 0.62 KDM4E (0.43) KDM4EALDH1A1MAP4K4PAK4CSF1R
SCHEMBL3705440 0.62 AKT1 (0.47) ALDH1A1PTK2ADORA1ADORA2AMAPT

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-2000009508-A1 TRIAZOLOPYRIMIDINE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-02-24 WO disclosed