SCHEMBL19204501

SCHEMBL19204501

N=C(N)c1ccc2c(c1)CCCO2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.63
CTNNB1 P35222 7/20 0.54
WNT3A P56704 7/20 0.54
DYRK1A Q13627 2/20 0.41
CLK1 P49759 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
TSHR P16473 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.40
CACNA1H O95180 1/20 0.38
PLAU P00749 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
SCHEMBL7990191 0.91 PRKCI (0.69) PRKCICTNNB1WNT3ADYRK1ADYRK1B
SCHEMBL29654041 0.83 PRKCI (0.63) PRKCICTNNB1WNT3ADYRK1ACLK1
SCHEMBL8319676 0.83 PRKCI (0.63) PRKCICTNNB1WNT3ADYRK1ACLK1
SCHEMBL12348374 0.79 PRKCI (0.47) PRKCIPLAU
SCHEMBL16742246 0.79 PRKCI (0.61) PRKCICTNNB1WNT3ATSHRTAS1R3
SCHEMBL31262479 0.78 CTNNB1 (0.67) PRKCICTNNB1WNT3ADYRK1ACLK1
SCHEMBL875455 0.78 CTNNB1 (0.67) PRKCICTNNB1WNT3ADYRK1ACLK1
SCHEMBL3544882 0.77 PRKCI (1.00) PRKCICTNNB1WNT3ADYRK1ATSHR
SCHEMBL20572734 0.77 TSHR (0.67) CTNNB1TSHRNPC1RAB9APLAU
SCHEMBL1726294 0.77 CTNNB1 (0.61) PRKCICTNNB1WNT3ADYRK1ACLK1

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-2017131425-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF 한양대학교 에리카산학협력단 2017-08-03 WO disclosed