SCHEMBL8416372

SCHEMBL8416372

O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YES1 P07947 2/20 0.67
KDR P35968 2/20 0.67
JAK3 P52333 2/20 0.67
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
CYP19A1 P11511 2/20 0.54
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL8804260 0.91 YES1 (0.69) YES1KDRJAK3TUBB4ATUBB
SCHEMBL8804492 0.90 YES1 (0.54) YES1KDRJAK3TUBB4ATUBB
SCHEMBL9055521 0.90 YES1 (0.81) YES1KDRJAK3TUBB4ATUBB
SCHEMBL9054761 0.90 YES1 (0.83) YES1KDRJAK3TUBB4ATUBB
SCHEMBL8804976 0.89 YES1 (0.58) YES1KDRJAK3TUBB4ATUBB
SCHEMBL8805590 0.88 YES1 (0.55) YES1KDRJAK3TUBB4ATUBB
SCHEMBL8807702 0.88 KMT2A (0.64) YES1KDRJAK3CYP19A1RXFP1
SCHEMBL8805799 0.88 YES1 (0.74) YES1KDRJAK3TUBB4ATUBB
SCHEMBL8805785 0.88 YES1 (0.59) YES1KDRJAK3TUBB4ATUBB
SCHEMBL25994791 0.87 IDO1 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965582-A ANTIHISTAMINES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-12 US claimed
US-5965582-A ANTIHISTAMINES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
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