SCHEMBL17849008

SCHEMBL17849008

CC(C)(Cc1ccc(Cl)nn1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
TRPV1 Q8NER1 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
SYK P43405 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
PANK3 Q9H999 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2177363 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL27827809 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTGAANPSR1
SCHEMBL1661666 0.71 ALDH1A1 (0.34) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL31582761 0.71 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTPOLB
SCHEMBL17653940 0.68 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL15240341 0.68 LMNA (0.49) KMT2ALMNAGAAKDM4EPOLB
SCHEMBL14840925 0.68 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1515625 0.68 GABRA5 (0.40) KMT2A
SCHEMBL29593341 0.68 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8082304 0.67 SLC6A4 (0.59) ALDH1A1KMT2ALMNAMAPTNFKB1

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
CN-118076606-A Imidazopyridazine IL-17 inhibitor compounds 詹森药业有限公司 2024-05-24 CN disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
EP-3233839-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS Janssen Pharmaceutica NV (BE) 2017-10-25 EP disclosed
WO-2016097359-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed