SCHEMBL7362648

SCHEMBL7362648

O=C(O)c1ccc(-c2nncc3ncccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAP2K4 P45985 2/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
IDE P14735 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
RORC P51449 2/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
DHODH Q02127 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 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
SCHEMBL9376329 0.79 MAPT (0.44) MEN1POLBKMT2AKDM4EMAPK1
SCHEMBL9375260 0.77 PDE4A (0.50) CAMKK2MKNK1MKNK2RAB9AHPGD
Terephthalic Acid SCHEMBL1649598 0.74 MAPT (0.64) CAMKK2MKNK1MKNK2RAB9AMEN1
SCHEMBL6873637 0.70 KDM4E (0.56) CAMKK2MKNK1MKNK2MAP2K4RAB9A
SCHEMBL10325337 0.69 TTR (0.56) CAMKK2MKNK1MKNK2MAP2K4RORC
SCHEMBL3554044 0.69 TRPV1 (0.61) CAMKK2MKNK1MKNK2MAP2K4KDM4E
SCHEMBL3874091 0.69 TRPV1 (0.56) CAMKK2MKNK1MKNK2RORCKDM4E
SCHEMBL1222172 0.69 MKNK1 (0.55) CAMKK2MKNK1MKNK2RAB9AEGFR
SCHEMBL14422898 0.68 PTGS1 (0.59) CAMKK2MKNK1MKNK2MAP2K4RAB9A
Hydrochloric Acid SCHEMBL3086577 0.68 TRPV1 (0.59) CAMKK2MKNK1MKNK2MAP2K4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed