SCHEMBL19211560

SCHEMBL19211560

Cc1nccn1-c1ccnc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.52
RPS6KA5 O75582 1/20 0.50
CYP3A4 P08684 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
IDH1 O75874 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41

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
SCHEMBL17601592 0.77 RPS6KA5 (0.53) KDRRPS6KA5IDH1PTK2
SCHEMBL6295327 0.77 KDR (0.62) KDRRPS6KA5
SCHEMBL8499852 0.75 KDR (0.46) KDRCYP3A4CYP2E1CYP2A6IDH1
SCHEMBL28674708 0.74 EGFR (0.49) KDRRPS6KA5
SCHEMBL17601089 0.74 RPS6KA5 (0.45) KDRRPS6KA5ALDH1A1PTK2CYP1A2
SCHEMBL24240217 0.72 CYP3A4 (0.50) KDRCYP3A4CYP2E1CYP2A6TUBB4A
SCHEMBL28850795 0.72 RPS6KA5 (0.44) KDRRPS6KA5CYP3A4PTK2CYP2D6
SCHEMBL19100924 0.72 RPS6KA5 (0.55) RPS6KA5CYP2A6PTK2
SCHEMBL11179382 0.71 ALDH1A1 (0.51) KDRCYP3A4CYP2E1CYP2A6TUBB4A
SCHEMBL19100184 0.71 RPS6KA5 (0.54) RPS6KA5PTK2CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709723-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233544-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 CN disclosed
EP-3414233-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS Janssen Pharmaceutica NV (BE) 2018-12-19 EP disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed