SCHEMBL8804976

SCHEMBL8804976

O=C(Cc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YES1 P07947 1/20 0.58
KDR P35968 1/20 0.58
JAK3 P52333 1/20 0.58
CYP19A1 P11511 2/20 0.54
MAPK1 P28482 1/20 0.52
LMNA P02545 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ICMT O60725 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48

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
SCHEMBL8416372 0.89 YES1 (0.67) YES1KDRJAK3CYP19A1ALDH1A1
SCHEMBL8804260 0.88 YES1 (0.69) YES1KDRJAK3CYP19A1LMNA
SCHEMBL8805590 0.88 YES1 (0.55) YES1KDRJAK3LMNAALDH1A1
SCHEMBL8806145 0.87 YES1 (0.55) YES1KDRJAK3LMNAALDH1A1
SCHEMBL8804492 0.83 YES1 (0.54) YES1KDRJAK3CYP19A1ICMT
SCHEMBL9055521 0.83 YES1 (0.81) YES1KDRJAK3CYP19A1LMNA
SCHEMBL8806207 0.83 YES1 (0.57) YES1KDRJAK3CYP19A1LMNA
SCHEMBL8806556 0.82 YES1 (0.64) YES1KDRJAK3LMNAALDH1A1
SCHEMBL24480047 0.81 LMNA (0.56) YES1KDRJAK3CYP19A1MAPK1
SCHEMBL8805785 0.81 YES1 (0.59) YES1KDRJAK3ICMTTUBB4A

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed