SCHEMBL9054587

SCHEMBL9054587

O=C(CCc1cn(Cc2ccccc2)c2ccc(Cl)cc12)Nc1ccncc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YES1 P07947 2/20 0.80
KDR P35968 2/20 0.80
JAK3 P52333 2/20 0.80
LMNA P02545 2/20 0.55
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53
PLA2G4A P47712 1/20 0.51

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
SCHEMBL9056811 0.90 YES1 (0.74) YES1KDRJAK3LMNATUBB4A
SCHEMBL8806556 0.90 YES1 (0.64) YES1KDRJAK3LMNATUBB4A
SCHEMBL8805746 0.89 YES1 (0.69) YES1KDRJAK3LMNATUBB4A
SCHEMBL32932963 0.89 YES1 (1.00) YES1KDRJAK3LMNATUBB4A
SCHEMBL21585709 0.89 YES1 (1.00) YES1KDRJAK3LMNATUBB4A
SCHEMBL8805948 0.86 YES1 (0.66) YES1KDRJAK3LMNATUBB4A
SCHEMBL8805825 0.86 YES1 (0.66) YES1KDRJAK3LMNAPLA2G4A
SCHEMBL8805633 0.82 YES1 (0.68) YES1KDRJAK3LMNATUBB4A
SCHEMBL9054761 0.82 YES1 (0.83) YES1KDRJAK3LMNATUBB4A
SCHEMBL8805785 0.80 YES1 (0.59) YES1KDRJAK3TUBB4ATUBB

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-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