SCHEMBL19683692

SCHEMBL19683692

CNc1ccc(Nc2ncnc(N)c2C(=N)c2ccc(OCCN3CCOCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.45
EGFR P00533 3/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
SRC P12931 2/20 0.42
LTA4H P09960 1/20 0.42
ILK Q13418 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
SYK P43405 1/20 0.41
HDAC1 Q13547 1/20 0.40
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40

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
SCHEMBL23047300 0.94 ERBB2 (0.47) ERBB2EGFRGAASMN1; SMN2KDM4E
SCHEMBL20878979 0.91 ERBB2 (0.40) ERBB2EGFRABL1BCRSRC
SCHEMBL20878890 0.91 BRD4 (0.45) KDM4ELTA4HPSMB1PSMB5SYK
SCHEMBL19683782 0.89 EGFR (0.45) ERBB2EGFRGAASMN1; SMN2KDM4E
SCHEMBL19683824 0.87 SRC (0.47) ERBB2EGFRALDH1A1ABL1BCR
SCHEMBL19683608 0.86 EGFR (0.40) ERBB2EGFRGAASMN1; SMN2KDM4E
SCHEMBL19683604 0.86 EPHX2 (0.49) ERBB2EGFRGAASMN1; SMN2KDR
SCHEMBL20878968 0.85 SRC (0.44) ERBB2EGFRSRCHDAC1KDR
SCHEMBL20878982 0.84 SMN1; SMN2 (0.45) EGFRGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL20878942 0.83 EGFR (0.45) ERBB2EGFRGAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466952-B1 1-(4-(4-AMINO-3-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)-PHENYL)-UREA DERIVATIVES AS FLT3 KINASE INHIBITORS FOR TREATING CANCER PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-03-03 EP disclosed
EP-3466952-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF Precedo Pharmaceuticals Co., Ltd. (CN) 2019-04-10 EP disclosed
WO-2017206962-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF 合肥中科普瑞昇生物医药科技有限公司 2017-12-07 WO disclosed